2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide

C20H19NO4 — CID 110793766

IUPAC2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C20H19NO4/c1-2-11-24-16-9-7-14(8-10-16)13-21-19(22)17-12-15-5-3-4-6-18(15)25-20(17)23/h3-10,12H,2,11,13H2,1H3,(H,21,22)
InChIKeyFYNXBGPGUVEGRR-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.51
Rot. Bonds6

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

2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide (PubChem CID 110793766) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
PubChem CID110793766
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C20H19NO4/c1-2-11-24-16-9-7-14(8-10-16)13-21-19(22)17-12-15-5-3-4-6-18(15)25-20(17)23/h3-10,12H,2,11,13H2,1H3,(H,21,22)
InChIKeyFYNXBGPGUVEGRR-UHFFFAOYSA-N
XLogP3.51
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.51
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

N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide
CID 51121667
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-[[4-(butylcarbamoyl)phenyl]methyl]-2-oxochromene-3-carboxamide
CID 86986297
methyl N-[4-[[(2-oxochromene-3-carbonyl)amino]methyl]phenyl]carbamate
CID 47058004
N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263602
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19185577
N-(1,3-benzodioxol-5-ylmethyl)-2-oxochromene-3-carboxamide
CID 775794
N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810
2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide
CID 17354240
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-oxochromene-3-carboxamide
CID 49047426
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 19185487

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide (CID 110793766) is 2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide is CCCOc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide?
The InChIKey is FYNXBGPGUVEGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-2-11-24-16-9-7-14(8-10-16)13-21-19(22)17-12-15-5-3-4-6-18(15)25-20(17)23/h3-10,12H,2,11,13H2,1H3,(H,21,22).
What are the key properties of 2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide?
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.51, 6 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)methyl]chromene-3-carboxamide is sourced from PubChem (CID 110793766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).