N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide

C24H19NO4 — CID 24571213

IUPACN-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1Cc1ccccc1
InChIInChI=1S/C24H19NO4/c1-28-21-12-11-19(14-18(21)13-16-7-3-2-4-8-16)25-23(26)20-15-17-9-5-6-10-22(17)29-24(20)27/h2-12,14-15H,13H2,1H3,(H,25,26)
InChIKeyXHGXFGUNAAQZCZ-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.64
Rot. Bonds5

About N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide

N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide (PubChem CID 24571213) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide
PubChem CID24571213
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC NameN-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1Cc1ccccc1
InChIInChI=1S/C24H19NO4/c1-28-21-12-11-19(14-18(21)13-16-7-3-2-4-8-16)25-23(26)20-15-17-9-5-6-10-22(17)29-24(20)27/h2-12,14-15H,13H2,1H3,(H,25,26)
InChIKeyXHGXFGUNAAQZCZ-UHFFFAOYSA-N
XLogP4.64
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.64
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-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
CID 42372295
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-(3-benzyl-4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18206628
N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 1253528
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 23969465
N-[4-[(3-benzyl-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27038930
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-(3-benzyl-4-methoxyphenyl)-3-methyl-2-nitrobenzamide
CID 42371636

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide (CID 24571213) is N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is XHGXFGUNAAQZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-28-21-12-11-19(14-18(21)13-16-7-3-2-4-8-16)25-23(26)20-15-17-9-5-6-10-22(17)29-24(20)27/h2-12,14-15H,13H2,1H3,(H,25,26).
What are the key properties of N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide?
N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 24571213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).