N-(3-hydroxybutyl)-2H-chromene-3-carboxamide

C14H17NO3 — CID 111429331

IUPACN-(3-hydroxybutyl)-2H-chromene-3-carboxamide
SMILESCC(O)CCNC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C14H17NO3/c1-10(16)6-7-15-14(17)12-8-11-4-2-3-5-13(11)18-9-12/h2-5,8,10,16H,6-7,9H2,1H3,(H,15,17)
InChIKeyJTMYRJHAMDFPQM-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.35
Rot. Bonds4

About N-(3-hydroxybutyl)-2H-chromene-3-carboxamide

N-(3-hydroxybutyl)-2H-chromene-3-carboxamide (PubChem CID 111429331) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2H-chromene-3-carboxamide
PubChem CID111429331
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(3-hydroxybutyl)-2H-chromene-3-carboxamide
SMILESCC(O)CCNC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C14H17NO3/c1-10(16)6-7-15-14(17)12-8-11-4-2-3-5-13(11)18-9-12/h2-5,8,10,16H,6-7,9H2,1H3,(H,15,17)
InChIKeyJTMYRJHAMDFPQM-UHFFFAOYSA-N
XLogP1.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide
CID 111520105
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247
N-(3-hydroxy-2,2,4-trimethylpentyl)-2H-chromene-3-carboxamide
CID 109381132
N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide
CID 22578449
N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide
CID 91954278
3-(2H-chromene-3-carbonylamino)butanoic acid
CID 119220849
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide
CID 22578445
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-2H-chromene-3-carboxamide
CID 124589802
methyl 2-(2H-chromene-3-carbonylamino)-3-methylbutanoate
CID 75856990
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-2H-chromene-3-carboxamide (CID 111429331) is N-(3-hydroxybutyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-2H-chromene-3-carboxamide is CC(O)CCNC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-(3-hydroxybutyl)-2H-chromene-3-carboxamide?
The InChIKey is JTMYRJHAMDFPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(16)6-7-15-14(17)12-8-11-4-2-3-5-13(11)18-9-12/h2-5,8,10,16H,6-7,9H2,1H3,(H,15,17).
What are the key properties of N-(3-hydroxybutyl)-2H-chromene-3-carboxamide?
N-(3-hydroxybutyl)-2H-chromene-3-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 111429331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).