3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide

C15H19NO4 — CID 79726601

IUPAC3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCOc1ccc(C(=O)N(C)C2CCC(=O)CC2)cc1O
InChIInChI=1S/C15H19NO4/c1-16(11-4-6-12(17)7-5-11)15(19)10-3-8-14(20-2)13(18)9-10/h3,8-9,11,18H,4-7H2,1-2H3
InChIKeyKHQLPJODMXDOKB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.98
Rot. Bonds3

About 3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide

3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 79726601) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID79726601
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCOc1ccc(C(=O)N(C)C2CCC(=O)CC2)cc1O
InChIInChI=1S/C15H19NO4/c1-16(11-4-6-12(17)7-5-11)15(19)10-3-8-14(20-2)13(18)9-10/h3,8-9,11,18H,4-7H2,1-2H3
InChIKeyKHQLPJODMXDOKB-UHFFFAOYSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide
CID 79731785
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
4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 115369123
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264
5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride
CID 65371454
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
3-hydroxy-4-methoxybenzoic acid
CID 12575
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673447
3,4-dihydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 103957367
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 79726601) is 3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide is COc1ccc(C(=O)N(C)C2CCC(=O)CC2)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is KHQLPJODMXDOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16(11-4-6-12(17)7-5-11)15(19)10-3-8-14(20-2)13(18)9-10/h3,8-9,11,18H,4-7H2,1-2H3.
What are the key properties of 3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 277.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 79726601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).