4-(4-aminophenyl)-N-phenylbutanamide

C16H18N2O — CID 19353885

IUPAC4-(4-aminophenyl)-N-phenylbutanamide
SMILESNc1ccc(CCCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c17-14-11-9-13(10-12-14)5-4-8-16(19)18-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,17H2,(H,18,19)
InChIKeyMHVDNMGCEWBYJZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.23
Rot. Bonds5

About 4-(4-aminophenyl)-N-phenylbutanamide

4-(4-aminophenyl)-N-phenylbutanamide (PubChem CID 19353885) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-phenylbutanamide
PubChem CID19353885
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-(4-aminophenyl)-N-phenylbutanamide
SMILESNc1ccc(CCCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c17-14-11-9-13(10-12-14)5-4-8-16(19)18-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,17H2,(H,18,19)
InChIKeyMHVDNMGCEWBYJZ-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)-N-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
CID 119315336
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713
N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
CID 28995698
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-phenylbutanamide?
The IUPAC name of 4-(4-aminophenyl)-N-phenylbutanamide (CID 19353885) is 4-(4-aminophenyl)-N-phenylbutanamide.
What is the SMILES notation for 4-(4-aminophenyl)-N-phenylbutanamide?
The canonical SMILES for 4-(4-aminophenyl)-N-phenylbutanamide is Nc1ccc(CCCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-phenylbutanamide?
The InChIKey is MHVDNMGCEWBYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-14-11-9-13(10-12-14)5-4-8-16(19)18-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,17H2,(H,18,19).
What are the key properties of 4-(4-aminophenyl)-N-phenylbutanamide?
4-(4-aminophenyl)-N-phenylbutanamide has a molecular weight of 254.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-phenylbutanamide is sourced from PubChem (CID 19353885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).