2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide

C16H25ClN2O — CID 119339882

IUPAC2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide
SMILESCCCC(N)C(=O)NCC(C)(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-4-6-14(18)15(20)19-11-16(2,3)10-12-7-5-8-13(17)9-12/h5,7-9,14H,4,6,10-11,18H2,1-3H3,(H,19,20)
InChIKeyPHHSYIPNNPFPQM-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.15
Rot. Bonds7

About 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide

2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide (PubChem CID 119339882) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide
PubChem CID119339882
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide
SMILESCCCC(N)C(=O)NCC(C)(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-4-6-14(18)15(20)19-11-16(2,3)10-12-7-5-8-13(17)9-12/h5,7-9,14H,4,6,10-11,18H2,1-3H3,(H,19,20)
InChIKeyPHHSYIPNNPFPQM-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide 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-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide
CID 119339868
2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 119330329
(2S)-2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfanylbutanamide
CID 119329650
2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957521
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide
CID 119812049
2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 119338812
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
CID 93398886
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
tert-butyl N-[(5S)-5-amino-6-[(3-chlorophenyl)methylamino]-6-oxohexyl]carbamate
CID 118899202

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide (CID 119339882) is 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide is CCCC(N)C(=O)NCC(C)(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide?
The InChIKey is PHHSYIPNNPFPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-6-14(18)15(20)19-11-16(2,3)10-12-7-5-8-13(17)9-12/h5,7-9,14H,4,6,10-11,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide?
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide has a molecular weight of 296.84 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide is sourced from PubChem (CID 119339882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).