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

C25H32N2O4 — CID 10113124

IUPAC[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate
SMILESCCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C25H32N2O4/c1-3-17-26-24(29)31-20-13-15-25(16-14-20,19-9-5-4-6-10-19)18-27-23(28)21-11-7-8-12-22(21)30-2/h4-12,20H,3,13-18H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyIYMWLYWBYFPVAA-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.44
Rot. Bonds8

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

[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate (PubChem CID 10113124) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate.

Molecular Properties

Compound Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate
PubChem CID10113124
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate
SMILESCCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C25H32N2O4/c1-3-17-26-24(29)31-20-13-15-25(16-14-20,19-9-5-4-6-10-19)18-27-23(28)21-11-7-8-12-22(21)30-2/h4-12,20H,3,13-18H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyIYMWLYWBYFPVAA-UHFFFAOYSA-N
XLogP4.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate?
The IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate (CID 10113124) is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate.
What is the SMILES notation for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate?
The canonical SMILES for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate is CCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate?
The InChIKey is IYMWLYWBYFPVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-3-17-26-24(29)31-20-13-15-25(16-14-20,19-9-5-4-6-10-19)18-27-23(28)21-11-7-8-12-22(21)30-2/h4-12,20H,3,13-18H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate?
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propylcarbamate has a molecular weight of 424.54 g/mol, XLogP of 4.44, 8 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-propylcarbamate is sourced from PubChem (CID 10113124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).