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

C25H29NO5 — CID 18009473

IUPAC[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C25H29NO5/c1-3-17-30-24(28)31-20-13-15-25(16-14-20,19-9-5-4-6-10-19)18-26-23(27)21-11-7-8-12-22(21)29-2/h3-12,20H,1,13-18H2,2H3,(H,26,27)
InChIKeyGGYFUJKXUNXMMA-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.64
Rot. Bonds8

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

[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate (PubChem CID 18009473) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate
PubChem CID18009473
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C25H29NO5/c1-3-17-30-24(28)31-20-13-15-25(16-14-20,19-9-5-4-6-10-19)18-26-23(27)21-11-7-8-12-22(21)29-2/h3-12,20H,1,13-18H2,2H3,(H,26,27)
InChIKeyGGYFUJKXUNXMMA-UHFFFAOYSA-N
XLogP4.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Krp-101
CID 9825046
N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-(4-methoxybenzyl)biphenyl-4-carboxamide
CID 710674
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
4-methoxy-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 739206
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
2,4-dimethoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737765
2-methoxy-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 25161633
4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 2930045
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide
CID 2958588
4-tert-butyl-N-(4-methoxybenzyl)benzamide
CID 5220350

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate?
The IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate (CID 18009473) is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate.
What is the SMILES notation for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate?
The canonical SMILES for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate is C=CCOC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate?
The InChIKey is GGYFUJKXUNXMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-3-17-30-24(28)31-20-13-15-25(16-14-20,19-9-5-4-6-10-19)18-26-23(27)21-11-7-8-12-22(21)29-2/h3-12,20H,1,13-18H2,2H3,(H,26,27).
What are the key properties of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate?
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate has a molecular weight of 423.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] prop-2-enyl carbonate is sourced from PubChem (CID 18009473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).