4-(1-phenylbutan-2-ylamino)butanamide

C14H22N2O — CID 79007526

IUPAC4-(1-phenylbutan-2-ylamino)butanamide
SMILESCCC(Cc1ccccc1)NCCCC(N)=O
InChIInChI=1S/C14H22N2O/c1-2-13(16-10-6-9-14(15)17)11-12-7-4-3-5-8-12/h3-5,7-8,13,16H,2,6,9-11H2,1H3,(H2,15,17)
InChIKeyNDEYQERIBWYVAG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.86
Rot. Bonds8

About 4-(1-phenylbutan-2-ylamino)butanamide

4-(1-phenylbutan-2-ylamino)butanamide (PubChem CID 79007526) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(1-phenylbutan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(1-phenylbutan-2-ylamino)butanamide
PubChem CID79007526
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(1-phenylbutan-2-ylamino)butanamide
SMILESCCC(Cc1ccccc1)NCCCC(N)=O
InChIInChI=1S/C14H22N2O/c1-2-13(16-10-6-9-14(15)17)11-12-7-4-3-5-8-12/h3-5,7-8,13,16H,2,6,9-11H2,1H3,(H2,15,17)
InChIKeyNDEYQERIBWYVAG-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1-phenylbutan-2-ylamino)butanamide 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

2-(1-phenylbutan-2-ylamino)ethyl carbamate
CID 83212188
2,2-dimethyl-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 122127230
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280
N-(4-methoxybutyl)-1-phenylbutan-2-amine
CID 79008478
methyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]butanoate
CID 55169386
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide
CID 119766314
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 119766313
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
5-(1-phenylpropylamino)pentanamide
CID 103529788
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylbutan-2-ylamino)butanamide?
The IUPAC name of 4-(1-phenylbutan-2-ylamino)butanamide (CID 79007526) is 4-(1-phenylbutan-2-ylamino)butanamide.
What is the SMILES notation for 4-(1-phenylbutan-2-ylamino)butanamide?
The canonical SMILES for 4-(1-phenylbutan-2-ylamino)butanamide is CCC(Cc1ccccc1)NCCCC(N)=O.
What is the InChIKey of 4-(1-phenylbutan-2-ylamino)butanamide?
The InChIKey is NDEYQERIBWYVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-13(16-10-6-9-14(15)17)11-12-7-4-3-5-8-12/h3-5,7-8,13,16H,2,6,9-11H2,1H3,(H2,15,17).
What are the key properties of 4-(1-phenylbutan-2-ylamino)butanamide?
4-(1-phenylbutan-2-ylamino)butanamide has a molecular weight of 234.34 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylbutan-2-ylamino)butanamide is sourced from PubChem (CID 79007526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).