N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide

C16H24ClNO — CID 63390601

IUPACN-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(CC(=O)N(CCCCl)C(C)C)cc1C
InChIInChI=1S/C16H24ClNO/c1-12(2)18(9-5-8-17)16(19)11-15-7-6-13(3)14(4)10-15/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKeyJQEVWTHGTDKWCR-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.71
Rot. Bonds6

About N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide

N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide (PubChem CID 63390601) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide
PubChem CID63390601
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(CC(=O)N(CCCCl)C(C)C)cc1C
InChIInChI=1S/C16H24ClNO/c1-12(2)18(9-5-8-17)16(19)11-15-7-6-13(3)14(4)10-15/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKeyJQEVWTHGTDKWCR-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide 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-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 55183334
N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide
CID 61039698
N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 80740905
N-(1-chloropropan-2-yl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 104555801
N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 63393742
N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55183329
2-[butan-2-yl-[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 62553124
N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 43136651
N-(3-hydroxypropyl)-N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 61038549
N-(3-bromopropyl)-2-(3,4-difluorophenyl)-N-propan-2-ylacetamide
CID 80662378
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039056
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100667543

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide (CID 63390601) is N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide is Cc1ccc(CC(=O)N(CCCCl)C(C)C)cc1C.
What is the InChIKey of N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide?
The InChIKey is JQEVWTHGTDKWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(2)18(9-5-8-17)16(19)11-15-7-6-13(3)14(4)10-15/h6-7,10,12H,5,8-9,11H2,1-4H3.
What are the key properties of N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide?
N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide has a molecular weight of 281.83 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 63390601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).