4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide

C19H17NO4 — CID 7931392

IUPAC4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide
SMILESCc1ccc2c(COc3ccc(C(N)=O)cc3)cc(=O)oc2c1C
InChIInChI=1S/C19H17NO4/c1-11-3-8-16-14(9-17(21)24-18(16)12(11)2)10-23-15-6-4-13(5-7-15)19(20)22/h3-9H,10H2,1-2H3,(H2,20,22)
InChIKeyVLIBSAUCBZZCCO-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.09
Rot. Bonds4

About 4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide

4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide (PubChem CID 7931392) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide.

Molecular Properties

Compound Name4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide
PubChem CID7931392
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide
SMILESCc1ccc2c(COc3ccc(C(N)=O)cc3)cc(=O)oc2c1C
InChIInChI=1S/C19H17NO4/c1-11-3-8-16-14(9-17(21)24-18(16)12(11)2)10-23-15-6-4-13(5-7-15)19(20)22/h3-9H,10H2,1-2H3,(H2,20,22)
InChIKeyVLIBSAUCBZZCCO-UHFFFAOYSA-N
XLogP3.09
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.09
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

7,8-dimethyl-4-(phenoxymethyl)chromen-2-one
CID 7818186
7,8-dimethyl-4-[(4-phenylphenoxy)methyl]chromen-2-one
CID 4850177
7,8-dimethyl-4-[(4-nitrophenoxy)methyl]chromen-2-one
CID 3538080
4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide
CID 7931369
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-cyanobenzoate
CID 4017961
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-methylsulfonylbenzoate
CID 7744728
4-O-[(7,8-dimethyl-2-oxochromen-4-yl)methyl] 1-O-ethyl but-2-enedioate
CID 4238078
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(diethylamino)benzoate
CID 3880003
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-methyl-3-sulfamoylbenzoate
CID 25434663
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 26989319
(7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate
CID 2552705
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 4532274

Frequently Asked Questions

What is the IUPAC name of 4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide?
The IUPAC name of 4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide (CID 7931392) is 4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide.
What is the SMILES notation for 4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide?
The canonical SMILES for 4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide is Cc1ccc2c(COc3ccc(C(N)=O)cc3)cc(=O)oc2c1C.
What is the InChIKey of 4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide?
The InChIKey is VLIBSAUCBZZCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-11-3-8-16-14(9-17(21)24-18(16)12(11)2)10-23-15-6-4-13(5-7-15)19(20)22/h3-9H,10H2,1-2H3,(H2,20,22).
What are the key properties of 4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide?
4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide has a molecular weight of 323.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide is sourced from PubChem (CID 7931392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).