Nbp-801

HCID 148787

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Basic information

CAS: 56980-96-2
Standard SMILES: CC(=O)c1cc(NC(N)=O)ccc1OCC(O)CNC(C)(C)C
InChIKey: JEQPRXXJGYCINZ-UHFFFAOYSA-N
Molecular formula: C16H25N3O4
Average molar mass: 323.39 g/mol
Monoisotopic mass: 323.18450629

Names & identifiers

Preferred name: Nbp-801
IUPAC: [3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea

Names & synonyms

NBP-801CCRIS 420656980-96-2F4LXS82AV8BRN 29489551-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)ureaUNII-F4LXS82AV8Urea, (3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-(3-Acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)ureaUREA, N-(3-ACETYL-4-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)PHENYL)-1-[3-ACETYL-4-[3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY]PHENYL]UREARefChem:202257

Show more names

DTXSID10972461Q272776291-[3-acetyl-4-[3-(t-butylamino)-2-hydroxypropoxy] phenyl]ureaN-{3-Acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}carbamimidic acid

Database identifiers

CAS: 56980-96-2
PubChem CID: 148787
DTXSID: DTXSID10972461
UNII: F4LXS82AV8

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 114 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 409

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