3-[(2-cyano-1-phenylethyl)amino]propanamide

C12H15N3O — CID 62779874

IUPAC3-[(2-cyano-1-phenylethyl)amino]propanamide
SMILESN#CCC(NCCC(N)=O)c1ccccc1
InChIInChI=1S/C12H15N3O/c13-8-6-11(15-9-7-12(14)16)10-4-2-1-3-5-10/h1-5,11,15H,6-7,9H2,(H2,14,16)
InChIKeyVPNDGHFDKMWSNX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.11
Rot. Bonds6

About 3-[(2-cyano-1-phenylethyl)amino]propanamide

3-[(2-cyano-1-phenylethyl)amino]propanamide (PubChem CID 62779874) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[(2-cyano-1-phenylethyl)amino]propanamide.

Molecular Properties

Compound Name3-[(2-cyano-1-phenylethyl)amino]propanamide
PubChem CID62779874
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[(2-cyano-1-phenylethyl)amino]propanamide
SMILESN#CCC(NCCC(N)=O)c1ccccc1
InChIInChI=1S/C12H15N3O/c13-8-6-11(15-9-7-12(14)16)10-4-2-1-3-5-10/h1-5,11,15H,6-7,9H2,(H2,14,16)
InChIKeyVPNDGHFDKMWSNX-UHFFFAOYSA-N
XLogP1.11
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-3-phenylpropanenitrile
CID 106310455
3-phenyl-3-(propylamino)propanamide
CID 65235689
5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide
CID 106237568
3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile
CID 62778213
3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile
CID 79749127
3-[(3-methyl-2-propan-2-ylbutyl)amino]-3-phenylpropanenitrile
CID 102905343
3-[2-(5-bromothiophen-2-yl)ethylamino]-3-phenylpropanenitrile
CID 106047150
3-(3,4-dimethylanilino)-3-phenylpropanenitrile
CID 55117815

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-1-phenylethyl)amino]propanamide?
The IUPAC name of 3-[(2-cyano-1-phenylethyl)amino]propanamide (CID 62779874) is 3-[(2-cyano-1-phenylethyl)amino]propanamide.
What is the SMILES notation for 3-[(2-cyano-1-phenylethyl)amino]propanamide?
The canonical SMILES for 3-[(2-cyano-1-phenylethyl)amino]propanamide is N#CCC(NCCC(N)=O)c1ccccc1.
What is the InChIKey of 3-[(2-cyano-1-phenylethyl)amino]propanamide?
The InChIKey is VPNDGHFDKMWSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-8-6-11(15-9-7-12(14)16)10-4-2-1-3-5-10/h1-5,11,15H,6-7,9H2,(H2,14,16).
What are the key properties of 3-[(2-cyano-1-phenylethyl)amino]propanamide?
3-[(2-cyano-1-phenylethyl)amino]propanamide has a molecular weight of 217.27 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-1-phenylethyl)amino]propanamide is sourced from PubChem (CID 62779874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).