N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide

C19H17NO4 — CID 155169638

IUPACN-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide
SMILESCc1cc(=O)oc2cc(C(=O)NCCc3ccc(O)cc3)ccc12
InChIInChI=1S/C19H17NO4/c1-12-10-18(22)24-17-11-14(4-7-16(12)17)19(23)20-9-8-13-2-5-15(21)6-3-13/h2-7,10-11,21H,8-9H2,1H3,(H,20,23)
InChIKeyGVQCEDRZEOQOAE-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide (PubChem CID 155169638) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide
PubChem CID155169638
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide
SMILESCc1cc(=O)oc2cc(C(=O)NCCc3ccc(O)cc3)ccc12
InChIInChI=1S/C19H17NO4/c1-12-10-18(22)24-17-11-14(4-7-16(12)17)19(23)20-9-8-13-2-5-15(21)6-3-13/h2-7,10-11,21H,8-9H2,1H3,(H,20,23)
InChIKeyGVQCEDRZEOQOAE-UHFFFAOYSA-N
XLogP2.78
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.78
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

3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
CID 61017535
N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide
CID 162910243
4-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbenzamide
CID 63211606
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497
N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide
CID 176902335
N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide
CID 171469459
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 2095409
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
7-hydroxy-4-methylchromen-2-one;methanesulfonic acid
CID 88677960
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490
N-[2-[4-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]phenyl]ethyl]acetamide
CID 9487188
[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium
CID 7408691

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide (CID 155169638) is N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide is Cc1cc(=O)oc2cc(C(=O)NCCc3ccc(O)cc3)ccc12.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide?
The InChIKey is GVQCEDRZEOQOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-10-18(22)24-17-11-14(4-7-16(12)17)19(23)20-9-8-13-2-5-15(21)6-3-13/h2-7,10-11,21H,8-9H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.78, 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]-4-methyl-2-oxochromene-7-carboxamide is sourced from PubChem (CID 155169638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).