4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide

C14H21ClN2O — CID 81075790

IUPAC4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(9-16)6-14(18)17-11(2)7-12-4-3-5-13(15)8-12/h3-5,8,10-11H,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyYVHTVWZDYWCXDQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.37
Rot. Bonds6

About 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide

4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide (PubChem CID 81075790) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide
PubChem CID81075790
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(9-16)6-14(18)17-11(2)7-12-4-3-5-13(15)8-12/h3-5,8,10-11H,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyYVHTVWZDYWCXDQ-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide 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

N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 60843071
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methylbutanamide
CID 81086824
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
CID 78972710
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
CID 96958726
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 114010279
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 51947501
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62505107
(E)-4-[1-(3-chlorophenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54867885
trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 124838795

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide (CID 81075790) is 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide is CC(CN)CC(=O)NC(C)Cc1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide?
The InChIKey is YVHTVWZDYWCXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(9-16)6-14(18)17-11(2)7-12-4-3-5-13(15)8-12/h3-5,8,10-11H,6-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide?
4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide has a molecular weight of 268.79 g/mol, XLogP of 2.37, 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-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 81075790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).