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

C23H27N3O3 — CID 39575427

IUPACN-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C23H27N3O3/c1-16(27)25-20-11-5-7-17(13-20)15-24-22(28)19-10-6-12-21(14-19)26-23(29)18-8-3-2-4-9-18/h5-7,10-14,18H,2-4,8-9,15H2,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyLKHSSXZPBNQAKJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.09
Rot. Bonds6

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

N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide (PubChem CID 39575427) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
PubChem CID39575427
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C23H27N3O3/c1-16(27)25-20-11-5-7-17(13-20)15-24-22(28)19-10-6-12-21(14-19)26-23(29)18-8-3-2-4-9-18/h5-7,10-14,18H,2-4,8-9,15H2,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyLKHSSXZPBNQAKJ-UHFFFAOYSA-N
XLogP4.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
CID 47052652
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
CID 47063709
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 60535612
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 17491912

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide (CID 39575427) is N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide is CC(=O)Nc1cccc(CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide?
The InChIKey is LKHSSXZPBNQAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(27)25-20-11-5-7-17(13-20)15-24-22(28)19-10-6-12-21(14-19)26-23(29)18-8-3-2-4-9-18/h5-7,10-14,18H,2-4,8-9,15H2,1H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide?
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide has a molecular weight of 393.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide is sourced from PubChem (CID 39575427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).