N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide

C19H27ClN2O2 — CID 175063270

IUPACN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide
SMILESCN(C)CCCC(=O)N(C)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C19H27ClN2O2/c1-21(2)14-8-12-18(24)22(3)19(13-7-6-11-17(19)23)15-9-4-5-10-16(15)20/h4-5,9-10H,6-8,11-14H2,1-3H3
InChIKeyFTHBOAPSHQDRAT-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.48
Rot. Bonds6

About N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide (PubChem CID 175063270) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide
PubChem CID175063270
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide
SMILESCN(C)CCCC(=O)N(C)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C19H27ClN2O2/c1-21(2)14-8-12-18(24)22(3)19(13-7-6-11-17(19)23)15-9-4-5-10-16(15)20/h4-5,9-10H,6-8,11-14H2,1-3H3
InChIKeyFTHBOAPSHQDRAT-UHFFFAOYSA-N
XLogP3.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] propanoate
CID 55443861
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylpropanamide
CID 55377267
2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one
CID 135034218
1-chloroethyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 139320477
4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide
CID 2354551
propan-2-yl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 170263505
1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78825833
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55584012
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
CID 55583850
ethyl 2-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]acetate
CID 163956305
(2S)-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylpyrrolidine-2-carboxamide
CID 139320616
[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl 4-oxopentanoate
CID 158267948

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide (CID 175063270) is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide is CN(C)CCCC(=O)N(C)C1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide?
The InChIKey is FTHBOAPSHQDRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-21(2)14-8-12-18(24)22(3)19(13-7-6-11-17(19)23)15-9-4-5-10-16(15)20/h4-5,9-10H,6-8,11-14H2,1-3H3.
What are the key properties of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide?
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide has a molecular weight of 350.89 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide is sourced from PubChem (CID 175063270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).