N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide

C19H21NO3 — CID 785044

IUPACN-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12
InChIInChI=1S/C19H21NO3/c1-2-7-13-8-6-9-14-12-16(19(22)23-17(13)14)18(21)20-15-10-4-3-5-11-15/h2,6,8-9,12,15H,1,3-5,7,10-11H2,(H,20,21)
InChIKeyGCEFGGRXZIPPGA-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.58
Rot. Bonds4

About N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide

N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide (PubChem CID 785044) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
PubChem CID785044
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12
InChIInChI=1S/C19H21NO3/c1-2-7-13-8-6-9-14-12-16(19(22)23-17(13)14)18(21)20-15-10-4-3-5-11-15/h2,6,8-9,12,15H,1,3-5,7,10-11H2,(H,20,21)
InChIKeyGCEFGGRXZIPPGA-UHFFFAOYSA-N
XLogP3.58
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one
CID 56694172
2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide
CID 21176516
N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 2254975
N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide
CID 763579
6-bromo-N-cycloheptyl-2-oxochromene-3-carboxamide
CID 1246809
8-prop-2-enyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one
CID 6969016
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
8-butoxy-N-cyclohexyl-6-methyl-2-oxochromene-3-carboxamide
CID 72715450
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide
CID 110486348
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide (CID 785044) is N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide is C=CCc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12.
What is the InChIKey of N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The InChIKey is GCEFGGRXZIPPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-7-13-8-6-9-14-12-16(19(22)23-17(13)14)18(21)20-15-10-4-3-5-11-15/h2,6,8-9,12,15H,1,3-5,7,10-11H2,(H,20,21).
What are the key properties of N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide is sourced from PubChem (CID 785044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).