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

C26H34N2O4 — CID 18009461

IUPAC[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate
SMILESCCCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C26H34N2O4/c1-3-4-18-27-25(30)32-21-14-16-26(17-15-21,20-10-6-5-7-11-20)19-28-24(29)22-12-8-9-13-23(22)31-2/h5-13,21H,3-4,14-19H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyQGWCCQLWCCPQHO-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.83
Rot. Bonds9

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

[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate (PubChem CID 18009461) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate.

Molecular Properties

Compound Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate
PubChem CID18009461
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate
SMILESCCCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C26H34N2O4/c1-3-4-18-27-25(30)32-21-14-16-26(17-15-21,20-10-6-5-7-11-20)19-28-24(29)22-12-8-9-13-23(22)31-2/h5-13,21H,3-4,14-19H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyQGWCCQLWCCPQHO-UHFFFAOYSA-N
XLogP4.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 808577
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CID 44270882
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CID 739206
CID 739206
CID 1769368
CID 1769368
CID 5044994
CID 5044994
CID 25161633
CID 25161633
CID 2930045
CID 2930045
CID 2958588
CID 2958588
CID 5220350
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CID 7750126
CID 7750126

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate?
The IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate (CID 18009461) is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate.
What is the SMILES notation for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate?
The canonical SMILES for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate is CCCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate?
The InChIKey is QGWCCQLWCCPQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-3-4-18-27-25(30)32-21-14-16-26(17-15-21,20-10-6-5-7-11-20)19-28-24(29)22-12-8-9-13-23(22)31-2/h5-13,21H,3-4,14-19H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate?
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-butylcarbamate has a molecular weight of 438.57 g/mol, XLogP of 4.83, 9 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-butylcarbamate is sourced from PubChem (CID 18009461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).