[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate

C29H38N2O5 — CID 54069418

IUPAC[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(=O)N(C)C2(O)CCCCC2)CC1
InChIInChI=1S/C29H38N2O5/c1-31(29(34)17-9-4-10-18-29)27(33)36-23-15-19-28(20-16-23,22-11-5-3-6-12-22)21-30-26(32)24-13-7-8-14-25(24)35-2/h3,5-8,11-14,23,34H,4,9-10,15-21H2,1-2H3,(H,30,32)
InChIKeyMFIHIJZMCGLUQT-UHFFFAOYSA-N
MW494.63 g/mol
LogP5.03
Rot. Bonds7

About [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate

[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate (PubChem CID 54069418) has the molecular formula C29H38N2O5 and a molecular weight of 494.63 g/mol. Its IUPAC name is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate.

Molecular Properties

Compound Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate
PubChem CID54069418
Molecular FormulaC29H38N2O5
Molecular Weight494.63 g/mol
Exact Mass494.28
IUPAC Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(=O)N(C)C2(O)CCCCC2)CC1
InChIInChI=1S/C29H38N2O5/c1-31(29(34)17-9-4-10-18-29)27(33)36-23-15-19-28(20-16-23,22-11-5-3-6-12-22)21-30-26(32)24-13-7-8-14-25(24)35-2/h3,5-8,11-14,23,34H,4,9-10,15-21H2,1-2H3,(H,30,32)
InChIKeyMFIHIJZMCGLUQT-UHFFFAOYSA-N
XLogP5.03
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.63
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate?
The IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate (CID 54069418) is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate.
What is the SMILES notation for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate?
The canonical SMILES for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate is COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(=O)N(C)C2(O)CCCCC2)CC1.
What is the InChIKey of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate?
The InChIKey is MFIHIJZMCGLUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O5/c1-31(29(34)17-9-4-10-18-29)27(33)36-23-15-19-28(20-16-23,22-11-5-3-6-12-22)21-30-26(32)24-13-7-8-14-25(24)35-2/h3,5-8,11-14,23,34H,4,9-10,15-21H2,1-2H3,(H,30,32).
What are the key properties of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate?
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate has a molecular weight of 494.63 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate is sourced from PubChem (CID 54069418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).