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

C23H28N2O3 — CID 18009467

IUPACN-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NC(C)=O)CC1
InChIInChI=1S/C23H28N2O3/c1-17(26)25-19-12-14-23(15-13-19,18-8-4-3-5-9-18)16-24-22(27)20-10-6-7-11-21(20)28-2/h3-11,19H,12-16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyDXHXJHUSVHQWQI-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.44
Rot. Bonds6

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

N-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide (PubChem CID 18009467) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
PubChem CID18009467
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NC(C)=O)CC1
InChIInChI=1S/C23H28N2O3/c1-17(26)25-19-12-14-23(15-13-19,18-8-4-3-5-9-18)16-24-22(27)20-10-6-7-11-21(20)28-2/h3-11,19H,12-16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyDXHXJHUSVHQWQI-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide (CID 18009467) is N-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(NC(C)=O)CC1.
What is the InChIKey of N-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
The InChIKey is DXHXJHUSVHQWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(26)25-19-12-14-23(15-13-19,18-8-4-3-5-9-18)16-24-22(27)20-10-6-7-11-21(20)28-2/h3-11,19H,12-16H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
N-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide has a molecular weight of 380.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamido-1-phenylcyclohexyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 18009467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).