2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide

C22H26N2O4 — CID 110602595

IUPAC2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-27-19-13-12-16(14-20(19)28-2)23-22(26)17-10-6-7-11-18(17)24-21(25)15-8-4-3-5-9-15/h6-7,10-15H,3-5,8-9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyCKCCQXQJPKIGDI-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.47
Rot. Bonds6

About 2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide

2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide (PubChem CID 110602595) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
PubChem CID110602595
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-27-19-13-12-16(14-20(19)28-2)23-22(26)17-10-6-7-11-18(17)24-21(25)15-8-4-3-5-9-15/h6-7,10-15H,3-5,8-9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyCKCCQXQJPKIGDI-UHFFFAOYSA-N
XLogP4.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
CID 119945563
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084
N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide
CID 90010681
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
CID 51370675
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide?
The IUPAC name of 2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide (CID 110602595) is 2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)cc1OC.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide?
The InChIKey is CKCCQXQJPKIGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-19-13-12-16(14-20(19)28-2)23-22(26)17-10-6-7-11-18(17)24-21(25)15-8-4-3-5-9-15/h6-7,10-15H,3-5,8-9H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide?
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 110602595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).