N-(4-Amino-2-methoxyphenyl)-2-[bis(cyanomethyl)amino]propanamide

HCID 20121113

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Basic information

CAS: 1101848-99-0
Standard SMILES: COc1cc(N)ccc1NC(=O)C(C)N(CC#N)CC#N
InChIKey: QJUIIANXXORJLE-UHFFFAOYSA-N
Molecular formula: C14H17N5O2
Average molar mass: 287.32 g/mol
Monoisotopic mass: 287.1382248

Names & identifiers

Preferred name: N-(4-Amino-2-methoxyphenyl)-2-[bis(cyanomethyl)amino]propanamide
IUPAC: N-(4-amino-2-methoxyphenyl)-2-[bis(cyanomethyl)amino]propanamide

Names & synonyms

N-(4-AMINO-2-METHOXYPHENYL)-2-[BIS(CYANOMETHYL)AMINO]PROPANAMIDEDTXSID901171841AKOS0001630921101848-99-0N-(4-Amino-2-methoxyphenyl)-N~2~,N~2~-bis(cyanomethyl)alaninamide

Database identifiers

CAS: 1101848-99-0
PubChem CID: 20121113
DTXSID: DTXSID901171841

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 115 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 431

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