2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide

C17H25ClN2O — CID 78825273

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide
SMILESCC(NCC(=O)N(C)C1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O/c1-13(15-10-6-7-11-16(15)18)19-12-17(21)20(2)14-8-4-3-5-9-14/h6-7,10-11,13-14,19H,3-5,8-9,12H2,1-2H3
InChIKeyUWDTUKYBWVSWDE-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.78
Rot. Bonds5

About 2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide

2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide (PubChem CID 78825273) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide
PubChem CID78825273
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide
SMILESCC(NCC(=O)N(C)C1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O/c1-13(15-10-6-7-11-16(15)18)19-12-17(21)20(2)14-8-4-3-5-9-14/h6-7,10-11,13-14,19H,3-5,8-9,12H2,1-2H3
InChIKeyUWDTUKYBWVSWDE-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-methyl-2-(1-phenylethylamino)acetamide
CID 54815225
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexylacetamide
CID 51171753
N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide
CID 78896142
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81379327
N-cyclohexyl-N-methyl-2-(2-propan-2-ylanilino)acetamide
CID 54823199
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]ethanone
CID 60674362
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 8710351
N-cyclobutyl-N-methyl-2-(propan-2-ylamino)acetamide
CID 70337109
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8599057
2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide
CID 86918952

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide (CID 78825273) is 2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide is CC(NCC(=O)N(C)C1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is UWDTUKYBWVSWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13(15-10-6-7-11-16(15)18)19-12-17(21)20(2)14-8-4-3-5-9-14/h6-7,10-11,13-14,19H,3-5,8-9,12H2,1-2H3.
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 308.85 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 78825273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).