N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide

C31H37N3O2 — CID 67699000

IUPACN-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide
SMILESCc1cc(C)c(NC(=O)N(Cc2ccc(NC(=O)c3ccccc3)cc2)C2CCCCCC2)c(C)c1
InChIInChI=1S/C31H37N3O2/c1-22-19-23(2)29(24(3)20-22)33-31(36)34(28-13-9-4-5-10-14-28)21-25-15-17-27(18-16-25)32-30(35)26-11-7-6-8-12-26/h6-8,11-12,15-20,28H,4-5,9-10,13-14,21H2,1-3H3,(H,32,35)(H,33,36)
InChIKeyXTJZNXPVJFTZNJ-UHFFFAOYSA-N
MW483.66 g/mol
LogP7.62
Rot. Bonds6

About N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide

N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide (PubChem CID 67699000) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide
PubChem CID67699000
Molecular FormulaC31H37N3O2
Molecular Weight483.66 g/mol
Exact Mass483.29
IUPAC NameN-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide
SMILESCc1cc(C)c(NC(=O)N(Cc2ccc(NC(=O)c3ccccc3)cc2)C2CCCCCC2)c(C)c1
InChIInChI=1S/C31H37N3O2/c1-22-19-23(2)29(24(3)20-22)33-31(36)34(28-13-9-4-5-10-14-28)21-25-15-17-27(18-16-25)32-30(35)26-11-7-6-8-12-26/h6-8,11-12,15-20,28H,4-5,9-10,13-14,21H2,1-3H3,(H,32,35)(H,33,36)
InChIKeyXTJZNXPVJFTZNJ-UHFFFAOYSA-N
XLogP7.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide with MolForge

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Related Compounds

1-[[4-(benzenesulfonamido)phenyl]methyl]-1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 67701164
1-(biphenylen-2-ylmethyl)-1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 19936129
1-[[4-(4-chlorophenoxy)phenyl]methyl]-1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 67698698
1-cycloheptyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10574677
1-cycloheptyl-1-[(5-phenylthiophen-2-yl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 11797651
1-cycloheptyl-1-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10647055
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1462480
1-cyclopentyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10597258
N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide
CID 23913041
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302

Frequently Asked Questions

What is the IUPAC name of N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide?
The IUPAC name of N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide (CID 67699000) is N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide is Cc1cc(C)c(NC(=O)N(Cc2ccc(NC(=O)c3ccccc3)cc2)C2CCCCCC2)c(C)c1.
What is the InChIKey of N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide?
The InChIKey is XTJZNXPVJFTZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2/c1-22-19-23(2)29(24(3)20-22)33-31(36)34(28-13-9-4-5-10-14-28)21-25-15-17-27(18-16-25)32-30(35)26-11-7-6-8-12-26/h6-8,11-12,15-20,28H,4-5,9-10,13-14,21H2,1-3H3,(H,32,35)(H,33,36).
What are the key properties of N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide?
N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide has a molecular weight of 483.66 g/mol, XLogP of 7.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 67699000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).