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

C23H28N2O4 — CID 18009449

IUPACmethyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-28-20-11-7-6-10-19(20)21(26)24-16-23(17-8-4-3-5-9-17)14-12-18(13-15-23)25-22(27)29-2/h3-11,18H,12-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHBDPGSXHNFQMBE-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.66
Rot. Bonds6

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

methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate (PubChem CID 18009449) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate
PubChem CID18009449
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Namemethyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-28-20-11-7-6-10-19(20)21(26)24-16-23(17-8-4-3-5-9-17)14-12-18(13-15-23)25-22(27)29-2/h3-11,18H,12-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHBDPGSXHNFQMBE-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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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate?
The IUPAC name of methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate (CID 18009449) is methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate is COC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate?
The InChIKey is HBDPGSXHNFQMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-20-11-7-6-10-19(20)21(26)24-16-23(17-8-4-3-5-9-17)14-12-18(13-15-23)25-22(27)29-2/h3-11,18H,12-16H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate?
methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate 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 methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate is sourced from PubChem (CID 18009449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).