N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide

C24H19NO4 — CID 3899634

IUPACN-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide
SMILESCOc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H19NO4/c1-28-22-12-11-17(19-14-18-9-5-6-10-21(18)29-24(19)27)15-20(22)25-23(26)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,25,26)
InChIKeyDUDVHRNEJIGYLG-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.65
Rot. Bonds5

About N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide

N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide (PubChem CID 3899634) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide
PubChem CID3899634
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC NameN-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide
SMILESCOc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H19NO4/c1-28-22-12-11-17(19-14-18-9-5-6-10-21(18)29-24(19)27)15-20(22)25-23(26)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,25,26)
InChIKeyDUDVHRNEJIGYLG-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
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

2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675580
3-bromo-4-ethoxy-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 2219017
2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
CID 5133988
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
2,3,5,6-tetrafluoro-4-methoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 17315609
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 4682019
5-bromo-2-methoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-methylbenzamide
CID 3945792
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]prop-2-enamide
CID 4311631
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 28669452

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide (CID 3899634) is N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide is COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide?
The InChIKey is DUDVHRNEJIGYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-28-22-12-11-17(19-14-18-9-5-6-10-21(18)29-24(19)27)15-20(22)25-23(26)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,25,26).
What are the key properties of N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide?
N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide has a molecular weight of 385.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 3899634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).