N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide

C18H15NO4 — CID 23658676

IUPACN-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H15NO4/c20-10-9-12-5-7-14(8-6-12)19-17(21)15-11-13-3-1-2-4-16(13)23-18(15)22/h1-8,11,20H,9-10H2,(H,19,21)
InChIKeyWRVYQXQZIDOHPT-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.58
Rot. Bonds4

About N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide

N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 23658676) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID23658676
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H15NO4/c20-10-9-12-5-7-14(8-6-12)19-17(21)15-11-13-3-1-2-4-16(13)23-18(15)22/h1-8,11,20H,9-10H2,(H,19,21)
InChIKeyWRVYQXQZIDOHPT-UHFFFAOYSA-N
XLogP2.58
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 1253528
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-oxochromene-3-carboxamide
CID 20930875
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
methyl N-[4-[[(2-oxochromene-3-carbonyl)amino]methyl]phenyl]carbamate
CID 47058004
N-[4-(benzotriazol-1-ylmethyl)phenyl]-2-oxochromene-3-carboxamide
CID 3734963

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide (CID 23658676) is N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide is O=C(Nc1ccc(CCO)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is WRVYQXQZIDOHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-10-9-12-5-7-14(8-6-12)19-17(21)15-11-13-3-1-2-4-16(13)23-18(15)22/h1-8,11,20H,9-10H2,(H,19,21).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 23658676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).