2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide

C17H26N2O — CID 65242049

IUPAC2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCNC1(CC(=O)N[C@@H](C)c2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2O/c1-14(15-9-5-3-6-10-15)19-16(20)13-17(18-2)11-7-4-8-12-17/h3,5-6,9-10,14,18H,4,7-8,11-13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyUUWYXJSIMUFKBE-AWEZNQCLSA-N
MW274.41 g/mol
LogP3.18
Rot. Bonds5

About 2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide

2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 65242049) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID65242049
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCNC1(CC(=O)N[C@@H](C)c2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2O/c1-14(15-9-5-3-6-10-15)19-16(20)13-17(18-2)11-7-4-8-12-17/h3,5-6,9-10,14,18H,4,7-8,11-13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyUUWYXJSIMUFKBE-AWEZNQCLSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409906
2-(1-aminocyclobutyl)-N-(1-phenylethyl)acetamide
CID 79851717
N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240859
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
N-[2-(1-hydroxyethyl)phenyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241986
N-(1-cyclopropylethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240682
1-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60934441
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid
CID 65242547
1-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529002
1-[2-oxo-2-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]cyclohexane-1-carboxylic acid
CID 78980760
methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate
CID 65242652

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide (CID 65242049) is 2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide is CNC1(CC(=O)N[C@@H](C)c2ccccc2)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is UUWYXJSIMUFKBE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(15-9-5-3-6-10-15)19-16(20)13-17(18-2)11-7-4-8-12-17/h3,5-6,9-10,14,18H,4,7-8,11-13H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide?
2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 65242049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).