2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C17H25ClN2O — CID 8710351

IUPAC2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O/c1-12-7-3-6-10-16(12)20-17(21)11-19-13(2)14-8-4-5-9-15(14)18/h4-5,8-9,12-13,16,19H,3,6-7,10-11H2,1-2H3,(H,20,21)/t12-,13-,16+/m0/s1
InChIKeyXZCXQSIIFSXRRV-HEHGZKQESA-N
MW308.85 g/mol
LogP3.69
Rot. Bonds5

About 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 8710351) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID8710351
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O/c1-12-7-3-6-10-16(12)20-17(21)11-19-13(2)14-8-4-5-9-15(14)18/h4-5,8-9,12-13,16,19H,3,6-7,10-11H2,1-2H3,(H,20,21)/t12-,13-,16+/m0/s1
InChIKeyXZCXQSIIFSXRRV-HEHGZKQESA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexylacetamide
CID 51171753
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8548615
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8599057
2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide
CID 86918952
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide
CID 78825273
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide
CID 55896839
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 51965737
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757815

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 8710351) is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is C[C@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is XZCXQSIIFSXRRV-HEHGZKQESA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12-7-3-6-10-16(12)20-17(21)11-19-13(2)14-8-4-5-9-15(14)18/h4-5,8-9,12-13,16,19H,3,6-7,10-11H2,1-2H3,(H,20,21)/t12-,13-,16+/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 308.85 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 8710351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).