N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide

C28H36N2O2 — CID 66710031

IUPACN-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
SMILESCC1CCCC(NC(=O)c2ccc(-c3ccc(C(=O)NC4CCCC(C)C4)cc3)cc2)C1
InChIInChI=1S/C28H36N2O2/c1-19-5-3-7-25(17-19)29-27(31)23-13-9-21(10-14-23)22-11-15-24(16-12-22)28(32)30-26-8-4-6-20(2)18-26/h9-16,19-20,25-26H,3-8,17-18H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyMIYJUYDEYUWEDD-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.97
Rot. Bonds5

About N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide

N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide (PubChem CID 66710031) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
PubChem CID66710031
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC NameN-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
SMILESCC1CCCC(NC(=O)c2ccc(-c3ccc(C(=O)NC4CCCC(C)C4)cc3)cc2)C1
InChIInChI=1S/C28H36N2O2/c1-19-5-3-7-25(17-19)29-27(31)23-13-9-21(10-14-23)22-11-15-24(16-12-22)28(32)30-26-8-4-6-20(2)18-26/h9-16,19-20,25-26H,3-8,17-18H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyMIYJUYDEYUWEDD-UHFFFAOYSA-N
XLogP5.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
4-cyano-N-(3-methylcyclohexyl)benzamide
CID 43244094
4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
N-(3-methylcyclohexyl)-4-(propylamino)benzamide
CID 62169172
6-(methylamino)-N-(3-methylcyclohexyl)pyridine-3-carboxamide
CID 62168135
N-cyclobutyl-4-methylbenzamide
CID 23530676
4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
CID 86961225
2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 55042070
3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
CID 106852600
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide?
The IUPAC name of N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide (CID 66710031) is N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide is CC1CCCC(NC(=O)c2ccc(-c3ccc(C(=O)NC4CCCC(C)C4)cc3)cc2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide?
The InChIKey is MIYJUYDEYUWEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-19-5-3-7-25(17-19)29-27(31)23-13-9-21(10-14-23)22-11-15-24(16-12-22)28(32)30-26-8-4-6-20(2)18-26/h9-16,19-20,25-26H,3-8,17-18H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide?
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide has a molecular weight of 432.61 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 66710031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).