4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride

C13H21ClN2O — CID 138397977

IUPAC4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
SMILESCC(Cc1ccccc1)NC(=O)CCCN.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-11(15-13(16)8-5-9-14)10-12-6-3-2-4-7-12;/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16);1H
InChIKeyWDDVWAOEVHIUMF-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.89
Rot. Bonds6

About 4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride

4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride (PubChem CID 138397977) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
PubChem CID138397977
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
SMILESCC(Cc1ccccc1)NC(=O)CCCN.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-11(15-13(16)8-5-9-14)10-12-6-3-2-4-7-12;/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16);1H
InChIKeyWDDVWAOEVHIUMF-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride 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

5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
4-amino-N-(4-hydroxy-4-phenylbutan-2-yl)butanamide
CID 119337613
6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide
CID 167344958
2-[2-(aminomethyl)phenyl]-N-(1-phenylpropan-2-yl)acetamide
CID 81312625
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
[(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium
CID 156803632

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride (CID 138397977) is 4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride is CC(Cc1ccccc1)NC(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride?
The InChIKey is WDDVWAOEVHIUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-11(15-13(16)8-5-9-14)10-12-6-3-2-4-7-12;/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16);1H.
What are the key properties of 4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride?
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 138397977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).