3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide

C18H15NO5 — CID 3157286

IUPAC3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1OC
InChIInChI=1S/C18H15NO5/c1-22-15-6-3-12(10-16(15)23-2)18(21)19-13-5-7-14-11(9-13)4-8-17(20)24-14/h3-10H,1-2H3,(H,19,21)
InChIKeyURBHUVBZTUAUAE-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.06
Rot. Bonds4

About 3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide

3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide (PubChem CID 3157286) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
PubChem CID3157286
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1OC
InChIInChI=1S/C18H15NO5/c1-22-15-6-3-12(10-16(15)23-2)18(21)19-13-5-7-14-11(9-13)4-8-17(20)24-14/h3-10H,1-2H3,(H,19,21)
InChIKeyURBHUVBZTUAUAE-UHFFFAOYSA-N
XLogP3.06
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-ethoxy-N-(2-oxochromen-6-yl)benzamide
CID 40607334
2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 6459417
3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide
CID 55978677
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
5-bromo-2-methoxy-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide
CID 3974750
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
2-(2-methoxyethoxy)-N-(2-oxochromen-6-yl)acetamide
CID 60580990
3-chloro-5-ethoxy-N-(2-oxochromen-6-yl)-4-propoxybenzamide
CID 52688828
(E)-N-(2-oxochromen-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 162649422

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide (CID 3157286) is 3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide is COc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide?
The InChIKey is URBHUVBZTUAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-15-6-3-12(10-16(15)23-2)18(21)19-13-5-7-14-11(9-13)4-8-17(20)24-14/h3-10H,1-2H3,(H,19,21).
What are the key properties of 3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide?
3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide has a molecular weight of 325.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide is sourced from PubChem (CID 3157286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).