3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide

C16H21NO4 — CID 79118265

IUPAC3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCOc1ccc(C(=O)N(C)C2CCC(=O)CC2)cc1OC
InChIInChI=1S/C16H21NO4/c1-17(12-5-7-13(18)8-6-12)16(19)11-4-9-14(20-2)15(10-11)21-3/h4,9-10,12H,5-8H2,1-3H3
InChIKeyYYWCPPFHKXJZGR-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.29
Rot. Bonds4

About 3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide

3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 79118265) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID79118265
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCOc1ccc(C(=O)N(C)C2CCC(=O)CC2)cc1OC
InChIInChI=1S/C16H21NO4/c1-17(12-5-7-13(18)8-6-12)16(19)11-4-9-14(20-2)15(10-11)21-3/h4,9-10,12H,5-8H2,1-3H3
InChIKeyYYWCPPFHKXJZGR-UHFFFAOYSA-N
XLogP2.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79726601
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 51092161
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79119648
3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 81471710
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 115369123
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264
5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride
CID 65371454
4-[(3,4-dimethoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119947

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 79118265) is 3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide is COc1ccc(C(=O)N(C)C2CCC(=O)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is YYWCPPFHKXJZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-17(12-5-7-13(18)8-6-12)16(19)11-4-9-14(20-2)15(10-11)21-3/h4,9-10,12H,5-8H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 291.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 79118265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).