N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide

C15H17NO4 — CID 107300405

IUPACN-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
SMILESCC(O)CCCNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H17NO4/c1-10(17)5-4-8-16-15(19)14-9-12(18)11-6-2-3-7-13(11)20-14/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H,16,19)
InChIKeyLYBGFACEDYYGND-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.68
Rot. Bonds5

About N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide

N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide (PubChem CID 107300405) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
PubChem CID107300405
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
SMILESCC(O)CCCNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H17NO4/c1-10(17)5-4-8-16-15(19)14-9-12(18)11-6-2-3-7-13(11)20-14/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H,16,19)
InChIKeyLYBGFACEDYYGND-UHFFFAOYSA-N
XLogP1.68
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
CID 43601604
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-oxochromene-2-carboxamide
CID 95167823
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium
CID 2374163
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide
CID 61246614
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 17494612

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide (CID 107300405) is N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide is CC(O)CCCNC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide?
The InChIKey is LYBGFACEDYYGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(17)5-4-8-16-15(19)14-9-12(18)11-6-2-3-7-13(11)20-14/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H,16,19).
What are the key properties of N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide?
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 107300405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).