[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate

C23H28N2O4 — CID 10178880

IUPAC[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate
SMILESCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-24-22(27)29-18-12-14-23(15-13-18,17-8-4-3-5-9-17)16-25-21(26)19-10-6-7-11-20(19)28-2/h3-11,18H,12-16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyAREGPDFKGNNJAE-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.66
Rot. Bonds6

About [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate

[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate (PubChem CID 10178880) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate
PubChem CID10178880
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate
SMILESCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-24-22(27)29-18-12-14-23(15-13-18,17-8-4-3-5-9-17)16-25-21(26)19-10-6-7-11-20(19)28-2/h3-11,18H,12-16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyAREGPDFKGNNJAE-UHFFFAOYSA-N
XLogP3.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Krp-101
CID 9825046
[3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate
CID 71506769
N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-(4-methoxybenzyl)biphenyl-4-carboxamide
CID 710674
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
4-methoxy-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 739206
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737765
2-(4-Propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 5044994
2-(4-Isopropoxy-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one
CID 6489098

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate?
The IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate (CID 10178880) is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate.
What is the SMILES notation for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate?
The canonical SMILES for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate is CNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate?
The InChIKey is AREGPDFKGNNJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-24-22(27)29-18-12-14-23(15-13-18,17-8-4-3-5-9-17)16-25-21(26)19-10-6-7-11-20(19)28-2/h3-11,18H,12-16H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate?
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate has a molecular weight of 396.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-methylcarbamate is sourced from PubChem (CID 10178880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).