3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide

C18H21NO3 — CID 175851806

IUPAC3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c(=O)c1CCC1CCCCC1
InChIInChI=1S/C18H21NO3/c19-18(21)17-14(11-10-12-6-2-1-3-7-12)16(20)13-8-4-5-9-15(13)22-17/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,19,21)
InChIKeyHSJCTAWGRBRCQE-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.40
Rot. Bonds4

About 3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide

3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide (PubChem CID 175851806) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide
PubChem CID175851806
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c(=O)c1CCC1CCCCC1
InChIInChI=1S/C18H21NO3/c19-18(21)17-14(11-10-12-6-2-1-3-7-12)16(20)13-8-4-5-9-15(13)22-17/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,19,21)
InChIKeyHSJCTAWGRBRCQE-UHFFFAOYSA-N
XLogP3.40
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide 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

3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
3-(aminomethyl)-1-benzofuran-2-carboxamide
CID 47003249
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2637047
3-amino-1-benzofuran-2-carboxamide
CID 600546
cyclohexylmethyl 4-oxochromene-2-carboxylate
CID 769492
3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide
CID 7159624
3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide
CID 175851808
3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
CID 2478636
(3-oxobenzo[f]chromen-1-yl)methyl 3-cyclohexylpropanoate
CID 3497590
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
[10-(3-cyclohexylpropanoyloxy)anthracen-9-yl] 3-cyclohexylpropanoate
CID 145382727
(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone
CID 608478

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide?
The IUPAC name of 3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide (CID 175851806) is 3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide is NC(=O)c1oc2ccccc2c(=O)c1CCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide?
The InChIKey is HSJCTAWGRBRCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c19-18(21)17-14(11-10-12-6-2-1-3-7-12)16(20)13-8-4-5-9-15(13)22-17/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,19,21).
What are the key properties of 3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide?
3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 175851806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).