2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide

C17H27ClN2O — CID 94897707

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide
SMILESCCCCC[C@H](C)NC(=O)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2O/c1-4-5-6-8-14(2)19-17(21)13-20(3)12-15-9-7-10-16(18)11-15/h7,9-11,14H,4-6,8,12-13H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyPZMLCTIOVSLGEQ-AWEZNQCLSA-N
MW310.87 g/mol
LogP3.86
Rot. Bonds9

About 2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide

2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide (PubChem CID 94897707) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide
PubChem CID94897707
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide
SMILESCCCCC[C@H](C)NC(=O)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2O/c1-4-5-6-8-14(2)19-17(21)13-20(3)12-15-9-7-10-16(18)11-15/h7,9-11,14H,4-6,8,12-13H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyPZMLCTIOVSLGEQ-AWEZNQCLSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide 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-[(3-chlorophenyl)methyl-methylamino]-N-heptan-2-ylacetamide
CID 56827984
N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 55354120
1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79395557
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
CID 71891384
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112800289
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide
CID 61489756

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide (CID 94897707) is 2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide is CCCCC[C@H](C)NC(=O)CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide?
The InChIKey is PZMLCTIOVSLGEQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-5-6-8-14(2)19-17(21)13-20(3)12-15-9-7-10-16(18)11-15/h7,9-11,14H,4-6,8,12-13H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide has a molecular weight of 310.87 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide is sourced from PubChem (CID 94897707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).