N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide

C18H19N3O — CID 109005123

IUPACN-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
SMILESN#Cc1cccc(NC(=O)CNCCCc2ccccc2)c1
InChIInChI=1S/C18H19N3O/c19-13-16-8-4-10-17(12-16)21-18(22)14-20-11-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,12,20H,5,9,11,14H2,(H,21,22)
InChIKeyXBBDRRABIMENCK-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.72
Rot. Bonds7

About N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide

N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide (PubChem CID 109005123) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
PubChem CID109005123
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
SMILESN#Cc1cccc(NC(=O)CNCCCc2ccccc2)c1
InChIInChI=1S/C18H19N3O/c19-13-16-8-4-10-17(12-16)21-18(22)14-20-11-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,12,20H,5,9,11,14H2,(H,21,22)
InChIKeyXBBDRRABIMENCK-UHFFFAOYSA-N
XLogP2.72
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
CID 108999966
4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109048503
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
ethyl 4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]butanoate
CID 60648303
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124566
N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005056
N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide
CID 109030973
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
CID 100789747
2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide
CID 60917548
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
CID 95784747
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide (CID 109005123) is N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide is N#Cc1cccc(NC(=O)CNCCCc2ccccc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide?
The InChIKey is XBBDRRABIMENCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c19-13-16-8-4-10-17(12-16)21-18(22)14-20-11-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,12,20H,5,9,11,14H2,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide?
N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide is sourced from PubChem (CID 109005123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).