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

C22H26N2O4 — CID 18009528

IUPAC[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(N)=O)CC1
InChIInChI=1S/C22H26N2O4/c1-27-19-10-6-5-9-18(19)20(25)24-15-22(16-7-3-2-4-8-16)13-11-17(12-14-22)28-21(23)26/h2-10,17H,11-15H2,1H3,(H2,23,26)(H,24,25)
InChIKeyYJNFRJDRKNHYSE-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.40
Rot. Bonds6

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

[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate (PubChem CID 18009528) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate
PubChem CID18009528
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(N)=O)CC1
InChIInChI=1S/C22H26N2O4/c1-27-19-10-6-5-9-18(19)20(25)24-15-22(16-7-3-2-4-8-16)13-11-17(12-14-22)28-21(23)26/h2-10,17H,11-15H2,1H3,(H2,23,26)(H,24,25)
InChIKeyYJNFRJDRKNHYSE-UHFFFAOYSA-N
XLogP3.40
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.40
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] carbamate?
The IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate (CID 18009528) is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate.
What is the SMILES notation for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate?
The canonical SMILES for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate is COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(N)=O)CC1.
What is the InChIKey of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate?
The InChIKey is YJNFRJDRKNHYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-19-10-6-5-9-18(19)20(25)24-15-22(16-7-3-2-4-8-16)13-11-17(12-14-22)28-21(23)26/h2-10,17H,11-15H2,1H3,(H2,23,26)(H,24,25).
What are the key properties of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate?
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] carbamate has a molecular weight of 382.46 g/mol, XLogP of 3.40, 6 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] carbamate is sourced from PubChem (CID 18009528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).