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

C24H30N2O5 — CID 18009465

IUPAC[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(=O)NCCO)CC1
InChIInChI=1S/C24H30N2O5/c1-30-21-10-6-5-9-20(21)22(28)26-17-24(18-7-3-2-4-8-18)13-11-19(12-14-24)31-23(29)25-15-16-27/h2-10,19,27H,11-17H2,1H3,(H,25,29)(H,26,28)
InChIKeyKRMMNVYQRZEFBH-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.02
Rot. Bonds8

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

[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate (PubChem CID 18009465) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate
PubChem CID18009465
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(=O)NCCO)CC1
InChIInChI=1S/C24H30N2O5/c1-30-21-10-6-5-9-20(21)22(28)26-17-24(18-7-3-2-4-8-18)13-11-19(12-14-24)31-23(29)25-15-16-27/h2-10,19,27H,11-17H2,1H3,(H,25,29)(H,26,28)
InChIKeyKRMMNVYQRZEFBH-UHFFFAOYSA-N
XLogP3.02
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate?
The IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate (CID 18009465) is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate?
The canonical SMILES for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate is COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(=O)NCCO)CC1.
What is the InChIKey of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate?
The InChIKey is KRMMNVYQRZEFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-30-21-10-6-5-9-20(21)22(28)26-17-24(18-7-3-2-4-8-18)13-11-19(12-14-24)31-23(29)25-15-16-27/h2-10,19,27H,11-17H2,1H3,(H,25,29)(H,26,28).
What are the key properties of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate?
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(2-hydroxyethyl)carbamate has a molecular weight of 426.51 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 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-hydroxyethyl)carbamate is sourced from PubChem (CID 18009465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).