N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide

C24H21NO5 — CID 22300862

IUPACN-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESCCOc1ccc(CC(NC(=O)c2cc3ccccc3oc2=O)c2ccco2)cc1
InChIInChI=1S/C24H21NO5/c1-2-28-18-11-9-16(10-12-18)14-20(22-8-5-13-29-22)25-23(26)19-15-17-6-3-4-7-21(17)30-24(19)27/h3-13,15,20H,2,14H2,1H3,(H,25,26)
InChIKeyKAZKLQSAWIGHKM-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide

N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 22300862) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID22300862
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC NameN-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESCCOc1ccc(CC(NC(=O)c2cc3ccccc3oc2=O)c2ccco2)cc1
InChIInChI=1S/C24H21NO5/c1-2-28-18-11-9-16(10-12-18)14-20(22-8-5-13-29-22)25-23(26)19-15-17-6-3-4-7-21(17)30-24(19)27/h3-13,15,20H,2,14H2,1H3,(H,25,26)
InChIKeyKAZKLQSAWIGHKM-UHFFFAOYSA-N
XLogP4.50
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoate
CID 7044549
2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
CID 40635761
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910
N-[1-(4-ethylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 17326877
N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide
CID 9297376
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-oxochromene-3-carboxamide
CID 20930276
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
2-[(2-oxochromene-3-carbonyl)amino]butanoic acid
CID 43469616
(2R)-2-[[(2S)-2-[(2-oxochromene-3-carbonyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 26794618
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide
CID 51121667
N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide
CID 171915214

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide (CID 22300862) is N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide is CCOc1ccc(CC(NC(=O)c2cc3ccccc3oc2=O)c2ccco2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is KAZKLQSAWIGHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-2-28-18-11-9-16(10-12-18)14-20(22-8-5-13-29-22)25-23(26)19-15-17-6-3-4-7-21(17)30-24(19)27/h3-13,15,20H,2,14H2,1H3,(H,25,26).
What are the key properties of N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide?
N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)-1-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 22300862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).