N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide

C22H25NO3 — CID 10066548

IUPACN-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NC2(C(=O)c3ccccc3)CCCCC2)c1C
InChIInChI=1S/C22H25NO3/c1-16-18(12-9-13-19(16)26-2)21(25)23-22(14-7-4-8-15-22)20(24)17-10-5-3-6-11-17/h3,5-6,9-13H,4,7-8,14-15H2,1-2H3,(H,23,25)
InChIKeyCFQVTHBBVSJEOM-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.32
Rot. Bonds5

About N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide

N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide (PubChem CID 10066548) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide
PubChem CID10066548
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC NameN-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NC2(C(=O)c3ccccc3)CCCCC2)c1C
InChIInChI=1S/C22H25NO3/c1-16-18(12-9-13-19(16)26-2)21(25)23-22(14-7-4-8-15-22)20(24)17-10-5-3-6-11-17/h3,5-6,9-13H,4,7-8,14-15H2,1-2H3,(H,23,25)
InChIKeyCFQVTHBBVSJEOM-UHFFFAOYSA-N
XLogP4.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide
CID 10385185
methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 122525050
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
tert-butyl 4-(3,5-dimethylbenzoyl)-4-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 59713394
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
3-methoxy-2-methylbenzohydrazide
CID 45091273
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 82826865
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
methyl 1-[(2-iodobenzoyl)amino]cycloheptane-1-carboxylate
CID 30806055

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide?
The IUPAC name of N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide (CID 10066548) is N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide is COc1cccc(C(=O)NC2(C(=O)c3ccccc3)CCCCC2)c1C.
What is the InChIKey of N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide?
The InChIKey is CFQVTHBBVSJEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-16-18(12-9-13-19(16)26-2)21(25)23-22(14-7-4-8-15-22)20(24)17-10-5-3-6-11-17/h3,5-6,9-13H,4,7-8,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide?
N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 10066548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).