3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide

C23H27NO4 — CID 10385185

IUPAC3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide
SMILESCOc1ccccc1C(=O)C1(NC(=O)c2cccc(OC)c2C)CCCCC1
InChIInChI=1S/C23H27NO4/c1-16-17(11-9-13-19(16)27-2)22(26)24-23(14-7-4-8-15-23)21(25)18-10-5-6-12-20(18)28-3/h5-6,9-13H,4,7-8,14-15H2,1-3H3,(H,24,26)
InChIKeyHLWLRCRKQGQDSK-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.33
Rot. Bonds6

About 3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide

3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide (PubChem CID 10385185) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide
PubChem CID10385185
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide
SMILESCOc1ccccc1C(=O)C1(NC(=O)c2cccc(OC)c2C)CCCCC1
InChIInChI=1S/C23H27NO4/c1-16-17(11-9-13-19(16)27-2)22(26)24-23(14-7-4-8-15-23)21(25)18-10-5-6-12-20(18)28-3/h5-6,9-13H,4,7-8,14-15H2,1-3H3,(H,24,26)
InChIKeyHLWLRCRKQGQDSK-UHFFFAOYSA-N
XLogP4.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide
CID 10066548
methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 122525050
(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
CID 103450061
3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide
CID 122525023
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
3-methoxy-2-methylbenzohydrazide
CID 45091273
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
tert-butyl 4-(3,5-dimethylbenzoyl)-4-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 59713394
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanone
CID 63410127
methyl 1-[(2-iodobenzoyl)amino]cycloheptane-1-carboxylate
CID 30806055

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide?
The IUPAC name of 3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide (CID 10385185) is 3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide.
What is the SMILES notation for 3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide?
The canonical SMILES for 3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide is COc1ccccc1C(=O)C1(NC(=O)c2cccc(OC)c2C)CCCCC1.
What is the InChIKey of 3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide?
The InChIKey is HLWLRCRKQGQDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16-17(11-9-13-19(16)27-2)22(26)24-23(14-7-4-8-15-23)21(25)18-10-5-6-12-20(18)28-3/h5-6,9-13H,4,7-8,14-15H2,1-3H3,(H,24,26).
What are the key properties of 3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide?
3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide has a molecular weight of 381.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide is sourced from PubChem (CID 10385185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).