기본 정보
- CAS
17795-80-1- 표준 SMILES
CCCC(C)(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1- InChIKey
PNJZAJBZQHXCMJ-UHFFFAOYSA-N- 분자식
- C18H28N2O3
- 평균 분자량
- 320.4 g/mol
- 단동위원소 질량
- 320.20999276
이름 및 식별자
- 우선 이름
- Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)
- IUPAC
- [3-(2,2-dimethylpentanoylamino)phenyl] N-tert-butylcarbamate
- 현지명
- 2,2-디메틸-N-[3-(N-tert-부틸카르바모일옥시)페닐]발레라미드
- 영어명
- 2,2-Dimethyl-N-[3-(N-tert-butylcarbamoyloxy)phenyl]valeramide
- 분자식
- C18H28N2O3
- 분자량
- 320.43
이름 및 동의어
17795-80-1Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)m-(2,2-Dimethylvaleramido)phenyl tert-butylcarbamateNSC 222536BRN 2162729Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamateValeranilide, 3'-hydroxy-2,2-dimethyl-, tert-butylcarbamateDTXSID90170403Valeranilide, 3'-hydroxy-2,2-dimethyl-, tert-butylcarbamate (ester)Carbamic acid, tert-butyl-, ester with 2,2-dimethyl-3'-hydroxyvaleranilideCarbamic acid, (1,1-dimethylethyl)-, 3-((3,2-dimethyl-1-oxopentyl)amino)phenyl esterCarbamic acid, (1,1-dimethylethyl)-, 3-((2,2-dimethyl-1-oxopentyl)amino)phenyl ester
이름 더 보기
2,2-디메틸-N-[3-(N-tert-부틸카르바모일옥시)페닐]발레라미드N-tert-Butylcarbamic acid 3-[(2,2-dimethylvaleryl)amino]phenyl esterCarbamic acid, (1,1-dimethylethyl)-, 3-[(2,2-dimethyl-1-oxopentyl)amino]phenyl ester (9CI)
RefChem:388243DTXCID3092894Carbamic acid, (1,1-dimethylethyl)-, 3-((2,2-dimethyl-1-oxopentyl)amino)phenyl ester (9CI)[3-(2,2-dimethylpentanoylamino)phenyl] N-tert-butylcarbamateorb19852142,2-Dimethyl-N-[3-(N-tert-butylcarbamoyloxy)phenyl]valeramideNSC222536AKOS040754322
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 67.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 413
화학 및 산업
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