3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide

C17H17N3O — CID 62302853

IUPAC3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
SMILESN#CCc1ccc(NC(=O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C17H17N3O/c18-12-11-14-3-8-16(9-4-14)20-17(21)10-5-13-1-6-15(19)7-2-13/h1-4,6-9H,5,10-11,19H2,(H,20,21)
InChIKeyFKAKUAIAXNSWFT-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.91
Rot. Bonds5

About 3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide

3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide (PubChem CID 62302853) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
PubChem CID62302853
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
SMILESN#CCc1ccc(NC(=O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C17H17N3O/c18-12-11-14-3-8-16(9-4-14)20-17(21)10-5-13-1-6-15(19)7-2-13/h1-4,6-9H,5,10-11,19H2,(H,20,21)
InChIKeyFKAKUAIAXNSWFT-UHFFFAOYSA-N
XLogP2.91
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
5-bromo-N-[4-(cyanomethyl)phenyl]pentanamide
CID 107908863
4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
CID 54795405
2-(5-amino-2-pyridinyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 107337812
2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 43300974
2-[4-(4-aminoanilino)phenyl]acetonitrile
CID 62302194
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide
CID 54794998
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
methyl 8-[4-(cyanomethyl)anilino]-8-oxooctanoate
CID 163595540

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide (CID 62302853) is 3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide is N#CCc1ccc(NC(=O)CCc2ccc(N)cc2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide?
The InChIKey is FKAKUAIAXNSWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-12-11-14-3-8-16(9-4-14)20-17(21)10-5-13-1-6-15(19)7-2-13/h1-4,6-9H,5,10-11,19H2,(H,20,21).
What are the key properties of 3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide?
3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide is sourced from PubChem (CID 62302853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).