N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide

C20H19NO4 — CID 78798389

IUPACN-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide
SMILESCCC(NC(=O)c1cc(=O)c2ccccc2o1)c1ccc(OC)cc1
InChIInChI=1S/C20H19NO4/c1-3-16(13-8-10-14(24-2)11-9-13)21-20(23)19-12-17(22)15-6-4-5-7-18(15)25-19/h4-12,16H,3H2,1-2H3,(H,21,23)
InChIKeyOEFLJNOQTMQINL-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide

N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide (PubChem CID 78798389) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide
PubChem CID78798389
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide
SMILESCCC(NC(=O)c1cc(=O)c2ccccc2o1)c1ccc(OC)cc1
InChIInChI=1S/C20H19NO4/c1-3-16(13-8-10-14(24-2)11-9-13)21-20(23)19-12-17(22)15-6-4-5-7-18(15)25-19/h4-12,16H,3H2,1-2H3,(H,21,23)
InChIKeyOEFLJNOQTMQINL-UHFFFAOYSA-N
XLogP3.68
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 134010201
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
diethyl 2-[1-(4-methoxyphenyl)-2-(4-oxochromen-2-yl)ethyl]propanedioate
CID 102223792
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide
CID 132650331
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
N-[1-(4-methoxyphenyl)propyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78798678

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide (CID 78798389) is N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide is CCC(NC(=O)c1cc(=O)c2ccccc2o1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide?
The InChIKey is OEFLJNOQTMQINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-16(13-8-10-14(24-2)11-9-13)21-20(23)19-12-17(22)15-6-4-5-7-18(15)25-19/h4-12,16H,3H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide?
N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 78798389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).