N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide

C18H27ClN2O — CID 39973443

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
SMILESCC1CCC(N(C)CC(=O)N[C@@H](C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H27ClN2O/c1-13-8-10-15(11-9-13)21(3)12-18(22)20-14(2)16-6-4-5-7-17(16)19/h4-7,13-15H,8-12H2,1-3H3,(H,20,22)/t13?,14-,15?/m0/s1
InChIKeyRROJKFXPLIZYCS-SLTAFYQDSA-N
MW322.88 g/mol
LogP4.03
Rot. Bonds5

About N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide

N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide (PubChem CID 39973443) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
PubChem CID39973443
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
SMILESCC1CCC(N(C)CC(=O)N[C@@H](C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H27ClN2O/c1-13-8-10-15(11-9-13)21(3)12-18(22)20-14(2)16-6-4-5-7-17(16)19/h4-7,13-15H,8-12H2,1-3H3,(H,20,22)/t13?,14-,15?/m0/s1
InChIKeyRROJKFXPLIZYCS-SLTAFYQDSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912445
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 42956358
2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 84869554
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825178
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
N-(2-chlorophenyl)-2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9037030
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
2-[bis(2-methoxyethyl)amino]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 78807153
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 92508260

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide (CID 39973443) is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide is CC1CCC(N(C)CC(=O)N[C@@H](C)c2ccccc2Cl)CC1.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide?
The InChIKey is RROJKFXPLIZYCS-SLTAFYQDSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-13-8-10-15(11-9-13)21(3)12-18(22)20-14(2)16-6-4-5-7-17(16)19/h4-7,13-15H,8-12H2,1-3H3,(H,20,22)/t13?,14-,15?/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide has a molecular weight of 322.88 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide is sourced from PubChem (CID 39973443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).