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

C25H32N2O5 — CID 18009437

IUPAC[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C25H32N2O5/c1-30-17-16-26-24(29)32-20-12-14-25(15-13-20,19-8-4-3-5-9-19)18-27-23(28)21-10-6-7-11-22(21)31-2/h3-11,20H,12-18H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyMELFLAYACWQVEH-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.68
Rot. Bonds9

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

[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate (PubChem CID 18009437) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate
PubChem CID18009437
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C25H32N2O5/c1-30-17-16-26-24(29)32-20-12-14-25(15-13-20,19-8-4-3-5-9-19)18-27-23(28)21-10-6-7-11-22(21)31-2/h3-11,20H,12-18H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyMELFLAYACWQVEH-UHFFFAOYSA-N
XLogP3.68
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate?
The IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate (CID 18009437) is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate.
What is the SMILES notation for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate?
The canonical SMILES for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate is COCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate?
The InChIKey is MELFLAYACWQVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-30-17-16-26-24(29)32-20-12-14-25(15-13-20,19-8-4-3-5-9-19)18-27-23(28)21-10-6-7-11-22(21)31-2/h3-11,20H,12-18H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate?
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-methoxyethyl)carbamate has a molecular weight of 440.54 g/mol, XLogP of 3.68, 9 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-(2-methoxyethyl)carbamate is sourced from PubChem (CID 18009437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).