2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide

C19H17NO4 — CID 110493370

IUPAC2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H17NO4/c1-2-11-23-15-9-7-14(8-10-15)20-18(21)16-12-13-5-3-4-6-17(13)24-19(16)22/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyOSDLTVJMJCIFHI-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.83
Rot. Bonds5

About 2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide

2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide (PubChem CID 110493370) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
PubChem CID110493370
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H17NO4/c1-2-11-23-15-9-7-14(8-10-15)20-18(21)16-12-13-5-3-4-6-17(13)24-19(16)22/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyOSDLTVJMJCIFHI-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 2968471
N-(4-butylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263305
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 136516823
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide (CID 110493370) is 2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide is CCCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide?
The InChIKey is OSDLTVJMJCIFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-11-23-15-9-7-14(8-10-15)20-18(21)16-12-13-5-3-4-6-17(13)24-19(16)22/h3-10,12H,2,11H2,1H3,(H,20,21).
What are the key properties of 2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide?
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 110493370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).