N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide

C23H28N2O5 — CID 51370675

IUPACN-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C23H28N2O5/c1-28-18-11-16(12-19(14-18)29-2)23(27)24-17-9-10-21(30-3)20(13-17)25-22(26)15-7-5-4-6-8-15/h9-15H,4-8H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyUPXDWRBNUBNDSA-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.48
Rot. Bonds7

About N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide

N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide (PubChem CID 51370675) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
PubChem CID51370675
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C23H28N2O5/c1-28-18-11-16(12-19(14-18)29-2)23(27)24-17-9-10-21(30-3)20(13-17)25-22(26)15-7-5-4-6-8-15/h9-15H,4-8H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyUPXDWRBNUBNDSA-UHFFFAOYSA-N
XLogP4.48
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
CID 119945563
N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 35347425
3-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-2-methyl-3-oxopropanoic acid
CID 138001716
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 120501094
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide
CID 119327991
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
CID 112984993

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide (CID 51370675) is N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)c1.
What is the InChIKey of N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide?
The InChIKey is UPXDWRBNUBNDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-28-18-11-16(12-19(14-18)29-2)23(27)24-17-9-10-21(30-3)20(13-17)25-22(26)15-7-5-4-6-8-15/h9-15H,4-8H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide?
N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide has a molecular weight of 412.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 51370675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).