N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide

C16H19NO4 — CID 103713082

IUPACN-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H19NO4/c1-3-8-16(2,20)10-17-15(19)14-9-12(18)11-6-4-5-7-13(11)21-14/h4-7,9,20H,3,8,10H2,1-2H3,(H,17,19)
InChIKeyOFZUYCGINKEJET-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.07
Rot. Bonds5

About N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide

N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide (PubChem CID 103713082) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide
PubChem CID103713082
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H19NO4/c1-3-8-16(2,20)10-17-15(19)14-9-12(18)11-6-4-5-7-13(11)21-14/h4-7,9,20H,3,8,10H2,1-2H3,(H,17,19)
InChIKeyOFZUYCGINKEJET-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
CID 90499300
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide
CID 95379433
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide
CID 71788780
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide
CID 90599147
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
CID 43601604
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide
CID 71787283
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-oxochromene-2-carboxamide
CID 95167823

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide (CID 103713082) is N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide is CCCC(C)(O)CNC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide?
The InChIKey is OFZUYCGINKEJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-8-16(2,20)10-17-15(19)14-9-12(18)11-6-4-5-7-13(11)21-14/h4-7,9,20H,3,8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide?
N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 103713082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).