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

C17H17N3O — CID 108999966

IUPACN-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
SMILESN#Cc1cccc(NC(=O)CNCCc2ccccc2)c1
InChIInChI=1S/C17H17N3O/c18-12-15-7-4-8-16(11-15)20-17(21)13-19-10-9-14-5-2-1-3-6-14/h1-8,11,19H,9-10,13H2,(H,20,21)
InChIKeyBIMMMGPHLSBXFJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.33
Rot. Bonds6

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

N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide (PubChem CID 108999966) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
PubChem CID108999966
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
SMILESN#Cc1cccc(NC(=O)CNCCc2ccccc2)c1
InChIInChI=1S/C17H17N3O/c18-12-15-7-4-8-16(11-15)20-17(21)13-19-10-9-14-5-2-1-3-6-14/h1-8,11,19H,9-10,13H2,(H,20,21)
InChIKeyBIMMMGPHLSBXFJ-UHFFFAOYSA-N
XLogP2.33
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.33
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-(3-phenylpropylamino)acetamide
CID 109005123
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
ethyl 4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]butanoate
CID 60648303
N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815120
4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109048503
N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108949699
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
2-[2-(3-cyanoanilino)-2-oxoethyl]benzoic acid
CID 53368897
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide (CID 108999966) is N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide is N#Cc1cccc(NC(=O)CNCCc2ccccc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide?
The InChIKey is BIMMMGPHLSBXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-12-15-7-4-8-16(11-15)20-17(21)13-19-10-9-14-5-2-1-3-6-14/h1-8,11,19H,9-10,13H2,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide?
N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide is sourced from PubChem (CID 108999966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).