[3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate

C23H22N2O5 — CID 71794272

IUPAC[3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CCCC(NC(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C23H22N2O5/c26-21(19-13-15-7-4-5-12-20(15)30-22(19)27)24-17-10-6-11-18(14-17)29-23(28)25-16-8-2-1-3-9-16/h1-5,7-9,12-13,17-18H,6,10-11,14H2,(H,24,26)(H,25,28)
InChIKeyYJRSYLVKJZSJSL-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.08
Rot. Bonds4

About [3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate

[3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate (PubChem CID 71794272) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is [3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate.

Molecular Properties

Compound Name[3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate
PubChem CID71794272
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name[3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CCCC(NC(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C23H22N2O5/c26-21(19-13-15-7-4-5-12-20(15)30-22(19)27)24-17-10-6-11-18(14-17)29-23(28)25-16-8-2-1-3-9-16/h1-5,7-9,12-13,17-18H,6,10-11,14H2,(H,24,26)(H,25,28)
InChIKeyYJRSYLVKJZSJSL-UHFFFAOYSA-N
XLogP4.08
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826
[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
CID 95985789
N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide
CID 62365593
[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
CID 95985787
2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide
CID 45195643
2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
CID 16822106
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 121141467
[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985836
[(1R,3S)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985839
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683

Frequently Asked Questions

What is the IUPAC name of [3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate?
The IUPAC name of [3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate (CID 71794272) is [3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate.
What is the SMILES notation for [3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate?
The canonical SMILES for [3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate is O=C(Nc1ccccc1)OC1CCCC(NC(=O)c2cc3ccccc3oc2=O)C1.
What is the InChIKey of [3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate?
The InChIKey is YJRSYLVKJZSJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c26-21(19-13-15-7-4-5-12-20(15)30-22(19)27)24-17-10-6-11-18(14-17)29-23(28)25-16-8-2-1-3-9-16/h1-5,7-9,12-13,17-18H,6,10-11,14H2,(H,24,26)(H,25,28).
What are the key properties of [3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate?
[3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate has a molecular weight of 406.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 71794272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).