3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide

C19H27ClN2O2 — CID 51312505

IUPAC3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
SMILESCC(=O)NC(CC(=O)N(C)C1CCC(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O2/c1-13-4-10-17(11-5-13)22(3)19(24)12-18(21-14(2)23)15-6-8-16(20)9-7-15/h6-9,13,17-18H,4-5,10-12H2,1-3H3,(H,21,23)
InChIKeyRHRGSWZKPGJBCW-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.94
Rot. Bonds5

About 3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide (PubChem CID 51312505) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
PubChem CID51312505
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
SMILESCC(=O)NC(CC(=O)N(C)C1CCC(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O2/c1-13-4-10-17(11-5-13)22(3)19(24)12-18(21-14(2)23)15-6-8-16(20)9-7-15/h6-9,13,17-18H,4-5,10-12H2,1-3H3,(H,21,23)
InChIKeyRHRGSWZKPGJBCW-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 38831458
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8533242
3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442701
3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553846
3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503
3-acetamido-N-butyl-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55508109
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78855440
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
3-acetamido-3-(4-chlorophenyl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55594929
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46691683

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide (CID 51312505) is 3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide is CC(=O)NC(CC(=O)N(C)C1CCC(C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide?
The InChIKey is RHRGSWZKPGJBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-13-4-10-17(11-5-13)22(3)19(24)12-18(21-14(2)23)15-6-8-16(20)9-7-15/h6-9,13,17-18H,4-5,10-12H2,1-3H3,(H,21,23).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide has a molecular weight of 350.89 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 51312505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).