3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide

C22H26N2O3 — CID 39906130

IUPAC3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C22H26N2O3/c1-27-20-12-5-7-16(13-20)15-23-21(25)18-10-6-11-19(14-18)24-22(26)17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyNVQMADMMPAEKNF-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.14
Rot. Bonds6

About 3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide

3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 39906130) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID39906130
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C22H26N2O3/c1-27-20-12-5-7-16(13-20)15-23-21(25)18-10-6-11-19(14-18)24-22(26)17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyNVQMADMMPAEKNF-UHFFFAOYSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide
CID 55894677
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 134057132
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
N-[3-[[[ethylamino-[(3-methoxyphenyl)methylamino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111250181
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792754
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55947605
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide (CID 39906130) is 3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is NVQMADMMPAEKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-12-5-7-16(13-20)15-23-21(25)18-10-6-11-19(14-18)24-22(26)17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide?
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 39906130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).