N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide

C28H30N2O3 — CID 10252803

IUPACN-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C28H30N2O3/c1-33-25-15-9-8-14-24(25)27(32)29-20-28(22-12-6-3-7-13-22)18-16-23(17-19-28)30-26(31)21-10-4-2-5-11-21/h2-15,23H,16-20H2,1H3,(H,29,32)(H,30,31)
InChIKeyFNTCVZSPYIRDGT-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.74
Rot. Bonds7

About N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide

N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide (PubChem CID 10252803) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
PubChem CID10252803
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC NameN-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C28H30N2O3/c1-33-25-15-9-8-14-24(25)27(32)29-20-28(22-12-6-3-7-13-22)18-16-23(17-19-28)30-26(31)21-10-4-2-5-11-21/h2-15,23H,16-20H2,1H3,(H,29,32)(H,30,31)
InChIKeyFNTCVZSPYIRDGT-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide (CID 10252803) is N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
The InChIKey is FNTCVZSPYIRDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-33-25-15-9-8-14-24(25)27(32)29-20-28(22-12-6-3-7-13-22)18-16-23(17-19-28)30-26(31)21-10-4-2-5-11-21/h2-15,23H,16-20H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide has a molecular weight of 442.56 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 10252803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).