N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide

C16H17NO4 — CID 90499300

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
SMILESCC(O)(CNC(=O)c1cc(=O)c2ccccc2o1)C1CC1
InChIInChI=1S/C16H17NO4/c1-16(20,10-6-7-10)9-17-15(19)14-8-12(18)11-4-2-3-5-13(11)21-14/h2-5,8,10,20H,6-7,9H2,1H3,(H,17,19)
InChIKeyJEJVYILQPTXUPL-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.68
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide

N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide (PubChem CID 90499300) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
PubChem CID90499300
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
SMILESCC(O)(CNC(=O)c1cc(=O)c2ccccc2o1)C1CC1
InChIInChI=1S/C16H17NO4/c1-16(20,10-6-7-10)9-17-15(19)14-8-12(18)11-4-2-3-5-13(11)21-14/h2-5,8,10,20H,6-7,9H2,1H3,(H,17,19)
InChIKeyJEJVYILQPTXUPL-UHFFFAOYSA-N
XLogP1.68
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 52907053
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide
CID 71788780
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide
CID 95379433
N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide
CID 103713082
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-[(4,4-difluorocyclohexyl)methyl]-4-oxochromene-2-carboxamide
CID 139328053
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide
CID 90599147
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N-(2-cyclopropyl-2-hydroxypropyl)furan-2-carboxamide
CID 52992722
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 17494612

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide (CID 90499300) is N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide is CC(O)(CNC(=O)c1cc(=O)c2ccccc2o1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide?
The InChIKey is JEJVYILQPTXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-16(20,10-6-7-10)9-17-15(19)14-8-12(18)11-4-2-3-5-13(11)21-14/h2-5,8,10,20H,6-7,9H2,1H3,(H,17,19).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 90499300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).