N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide

C16H17NO4 — CID 62365593

IUPACN-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H17NO4/c18-13-7-3-2-6-12(13)17-15(19)11-9-10-5-1-4-8-14(10)21-16(11)20/h1,4-5,8-9,12-13,18H,2-3,6-7H2,(H,17,19)
InChIKeyPEYYIGOIRONGJI-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.83
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide

N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide (PubChem CID 62365593) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide
PubChem CID62365593
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H17NO4/c18-13-7-3-2-6-12(13)17-15(19)11-9-10-5-1-4-8-14(10)21-16(11)20/h1,4-5,8-9,12-13,18H,2-3,6-7H2,(H,17,19)
InChIKeyPEYYIGOIRONGJI-UHFFFAOYSA-N
XLogP1.83
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxycyclohexyl)-1-benzofuran-2-carboxamide
CID 55064168
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
CID 35569573
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
CID 35569569
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide
CID 110741738
N-[(1S,2R)-2-methylcyclohexyl]-3-oxobenzo[f]chromene-2-carboxamide
CID 900146
1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(2-oxochromene-3-carbonyl)amino]thiourea
CID 11946375
6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
CID 2964707
N-(2-aminocyclohexyl)-1-benzofuran-2-carboxamide
CID 61037356
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide (CID 62365593) is N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide is O=C(NC1CCCCC1O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide?
The InChIKey is PEYYIGOIRONGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-13-7-3-2-6-12(13)17-15(19)11-9-10-5-1-4-8-14(10)21-16(11)20/h1,4-5,8-9,12-13,18H,2-3,6-7H2,(H,17,19).
What are the key properties of N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide?
N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 62365593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).