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

C25H30N2O4 — CID 10387528

IUPACprop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate
SMILESC=CCOC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C25H30N2O4/c1-3-17-31-24(29)27-20-13-15-25(16-14-20,19-9-5-4-6-10-19)18-26-23(28)21-11-7-8-12-22(21)30-2/h3-12,20H,1,13-18H2,2H3,(H,26,28)(H,27,29)
InChIKeyJVCNBEKOOOPXNX-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.22
Rot. Bonds8

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

prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate (PubChem CID 10387528) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate
PubChem CID10387528
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Nameprop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate
SMILESC=CCOC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C25H30N2O4/c1-3-17-31-24(29)27-20-13-15-25(16-14-20,19-9-5-4-6-10-19)18-26-23(28)21-11-7-8-12-22(21)30-2/h3-12,20H,1,13-18H2,2H3,(H,26,28)(H,27,29)
InChIKeyJVCNBEKOOOPXNX-UHFFFAOYSA-N
XLogP4.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate?
The IUPAC name of prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate (CID 10387528) is prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate?
The canonical SMILES for prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate is C=CCOC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate?
The InChIKey is JVCNBEKOOOPXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-3-17-31-24(29)27-20-13-15-25(16-14-20,19-9-5-4-6-10-19)18-26-23(28)21-11-7-8-12-22(21)30-2/h3-12,20H,1,13-18H2,2H3,(H,26,28)(H,27,29).
What are the key properties of prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate?
prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate has a molecular weight of 422.53 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate is sourced from PubChem (CID 10387528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).