2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide

C16H25ClN2O — CID 43704019

IUPAC2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-5-11(4)14(18)16(20)19-15(10(2)3)12-6-8-13(17)9-7-12/h6-11,14-15H,5,18H2,1-4H3,(H,19,20)
InChIKeyZZOIOLVWXSAKCS-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.53
Rot. Bonds6

About 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide

2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide (PubChem CID 43704019) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide
PubChem CID43704019
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-5-11(4)14(18)16(20)19-15(10(2)3)12-6-8-13(17)9-7-12/h6-11,14-15H,5,18H2,1-4H3,(H,19,20)
InChIKeyZZOIOLVWXSAKCS-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide 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

(2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide
CID 61273458
2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 60719784
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide
CID 79810224
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 60718649
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 79024949
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide (CID 43704019) is 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide?
The InChIKey is ZZOIOLVWXSAKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-11(4)14(18)16(20)19-15(10(2)3)12-6-8-13(17)9-7-12/h6-11,14-15H,5,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide?
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide has a molecular weight of 296.84 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide is sourced from PubChem (CID 43704019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).