4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide

C24H19NO4 — CID 17489399

IUPAC4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide
SMILESO=C(NCc1ccccc1COc1ccccc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H19NO4/c26-21-14-23(29-22-13-7-6-12-20(21)22)24(27)25-15-17-8-4-5-9-18(17)16-28-19-10-2-1-3-11-19/h1-14H,15-16H2,(H,25,27)
InChIKeyAMNFXVZNGMAGOV-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.30
Rot. Bonds6

About 4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide

4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide (PubChem CID 17489399) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide
PubChem CID17489399
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide
SMILESO=C(NCc1ccccc1COc1ccccc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H19NO4/c26-21-14-23(29-22-13-7-6-12-20(21)22)24(27)25-15-17-8-4-5-9-18(17)16-28-19-10-2-1-3-11-19/h1-14H,15-16H2,(H,25,27)
InChIKeyAMNFXVZNGMAGOV-UHFFFAOYSA-N
XLogP4.30
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036755
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 90612940
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449223
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide
CID 16867578
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080377
3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 31945316
N-[(4,4-difluorocyclohexyl)methyl]-4-oxochromene-2-carboxamide
CID 139328053

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide (CID 17489399) is 4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide is O=C(NCc1ccccc1COc1ccccc1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide?
The InChIKey is AMNFXVZNGMAGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-21-14-23(29-22-13-7-6-12-20(21)22)24(27)25-15-17-8-4-5-9-18(17)16-28-19-10-2-1-3-11-19/h1-14H,15-16H2,(H,25,27).
What are the key properties of 4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide?
4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide is sourced from PubChem (CID 17489399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).