N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide

C18H15NO4 — CID 162910243

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(=O)oc2ccccc12
InChIInChI=1S/C18H15NO4/c20-13-7-5-12(6-8-13)9-10-19-18(22)15-11-17(21)23-16-4-2-1-3-14(15)16/h1-8,11,20H,9-10H2,(H,19,22)
InChIKeyNDGBLTXHLFJWAK-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.47
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide (PubChem CID 162910243) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide
PubChem CID162910243
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(=O)oc2ccccc12
InChIInChI=1S/C18H15NO4/c20-13-7-5-12(6-8-13)9-10-19-18(22)15-11-17(21)23-16-4-2-1-3-14(15)16/h1-8,11,20H,9-10H2,(H,19,22)
InChIKeyNDGBLTXHLFJWAK-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide
CID 155169638
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61017284
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylfuran-2-carboxamide
CID 4108306
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
2-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 62180979
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 7463353
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide (CID 162910243) is N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide is O=C(NCCc1ccc(O)cc1)c1cc(=O)oc2ccccc12.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide?
The InChIKey is NDGBLTXHLFJWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-13-7-5-12(6-8-13)9-10-19-18(22)15-11-17(21)23-16-4-2-1-3-14(15)16/h1-8,11,20H,9-10H2,(H,19,22).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide is sourced from PubChem (CID 162910243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).