N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide

C16H19NO4 — CID 61246614

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H19NO4/c1-10(2)7-11(9-18)17-16(20)15-8-13(19)12-5-3-4-6-14(12)21-15/h3-6,8,10-11,18H,7,9H2,1-2H3,(H,17,20)
InChIKeyUYHCZTQBWXWJRX-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.93
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 61246614) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide
PubChem CID61246614
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H19NO4/c1-10(2)7-11(9-18)17-16(20)15-8-13(19)12-5-3-4-6-14(12)21-15/h3-6,8,10-11,18H,7,9H2,1-2H3,(H,17,20)
InChIKeyUYHCZTQBWXWJRX-UHFFFAOYSA-N
XLogP1.93
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
CID 55654736
1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 86967249
(2R)-4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 107822689
4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 61244550
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium
CID 2374163
N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 134010201

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide (CID 61246614) is N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide is CC(C)CC(CO)NC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is UYHCZTQBWXWJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(2)7-11(9-18)17-16(20)15-8-13(19)12-5-3-4-6-14(12)21-15/h3-6,8,10-11,18H,7,9H2,1-2H3,(H,17,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 61246614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).