N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide

C19H17NO4 — CID 869121

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H17NO4/c1-23-15-8-6-13(7-9-15)10-11-20-18(21)16-12-14-4-2-3-5-17(14)24-19(16)22/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyDKNOTUCSTWHNFB-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 869121) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID869121
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H17NO4/c1-23-15-8-6-13(7-9-15)10-11-20-18(21)16-12-14-4-2-3-5-17(14)24-19(16)22/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyDKNOTUCSTWHNFB-UHFFFAOYSA-N
XLogP2.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
CID 120587
2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 728535
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide
CID 2970501
N-cyclohexyl-2-oxo-2H-chromene-3-carboxamide
CID 724217
4-{(1e)-3-Oxo-3-[(2-Phenylethyl)amino]prop-1-En-1-Yl}-1,2-Phenylene Diacetate
CID 11957394
2H-1-Benzopyran-3-carboxamide, N,N'-1,4-butanediylbis[2-oxo-
CID 3559465
8-methoxy-2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 712647
2-oxo-N-(1-phenylethyl)-2H-chromene-3-carboxamide
CID 2788317
N,N'-Ethylenebis(3-coumarincarboxamide)
CID 599283
Coumarin, 3-(piperidinocarbonyl)-
CID 28913
3-Carboxamido coumarin, 50
CID 42618016

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide (CID 869121) is N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide is COc1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is DKNOTUCSTWHNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-15-8-6-13(7-9-15)10-11-20-18(21)16-12-14-4-2-3-5-17(14)24-19(16)22/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 869121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).