3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide

C25H21NO6 — CID 1256387

IUPAC3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)c1
InChIInChI=1S/C25H21NO6/c1-29-18-10-16(11-19(14-18)30-2)24(27)26-17-8-9-20(23(13-17)31-3)21-12-15-6-4-5-7-22(15)32-25(21)28/h4-14H,1-3H3,(H,26,27)
InChIKeyWTMRSGPNHKUZPF-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.74
Rot. Bonds6

About 3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide

3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide (PubChem CID 1256387) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
PubChem CID1256387
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)c1
InChIInChI=1S/C25H21NO6/c1-29-18-10-16(11-19(14-18)30-2)24(27)26-17-8-9-20(23(13-17)31-3)21-12-15-6-4-5-7-22(15)32-25(21)28/h4-14H,1-3H3,(H,26,27)
InChIKeyWTMRSGPNHKUZPF-UHFFFAOYSA-N
XLogP4.74
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3889487
N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamoyl]-N-sulfanylbenzamide
CID 87482746
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 3440474
5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide
CID 17117762
N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-2,4-dinitrobenzamide
CID 3814558
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-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 2958483
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675598
(2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide
CID 26020802
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide (CID 1256387) is 3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide?
The InChIKey is WTMRSGPNHKUZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO6/c1-29-18-10-16(11-19(14-18)30-2)24(27)26-17-8-9-20(23(13-17)31-3)21-12-15-6-4-5-7-22(15)32-25(21)28/h4-14H,1-3H3,(H,26,27).
What are the key properties of 3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide?
3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide has a molecular weight of 431.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide is sourced from PubChem (CID 1256387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).