2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one

C20H19NO4 — CID 166522312

IUPAC2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one
SMILESCOc1cccc(C(=O)C2=C(c3ccccc3)C(=O)OC2N(C)C)c1
InChIInChI=1S/C20H19NO4/c1-21(2)19-17(18(22)14-10-7-11-15(12-14)24-3)16(20(23)25-19)13-8-5-4-6-9-13/h4-12,19H,1-3H3
InChIKeyRJRPVQIMYDLYIL-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.78
Rot. Bonds5

About 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one

2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one (PubChem CID 166522312) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one
PubChem CID166522312
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one
SMILESCOc1cccc(C(=O)C2=C(c3ccccc3)C(=O)OC2N(C)C)c1
InChIInChI=1S/C20H19NO4/c1-21(2)19-17(18(22)14-10-7-11-15(12-14)24-3)16(20(23)25-19)13-8-5-4-6-9-13/h4-12,19H,1-3H3
InChIKeyRJRPVQIMYDLYIL-UHFFFAOYSA-N
XLogP2.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Dimethylamino-butoxy)-2-phenyl-chromen-4-one
CID 14982951
6-(5-Dimethylamino-pentyloxy)-2-phenyl-chromen-4-one
CID 14982952
6-(6-Dimethylamino-hexyloxy)-2-phenyl-chromen-4-one
CID 14982953
6-(7-Dimethylamino-heptyloxy)-2-phenyl-chromen-4-one
CID 14982954
6-(8-Dimethylamino-octyloxy)-2-phenyl-chromen-4-one
CID 14982955
6-(9-Dimethylamino-nonyloxy)-2-phenyl-chromen-4-one
CID 14982956
6-(10-Dimethylamino-decyloxy)-2-phenyl-chromen-4-one
CID 14982957
2-Phenyl-6-(6-pyrrolidin-1-yl-hexyloxy)-chromen-4-one
CID 14982964
6-(6-Diethylamino-hexyloxy)-2-phenyl-chromen-4-one
CID 14982970
3-(Dimethylamino)-1-(3-methoxyphenyl)propan-1-one hydrochloride
CID 50742434
1-Propanone, 3-(dimethylamino)-1-(4-(phenylmethoxy)phenyl)-, hydrochloride
CID 3039850
Pribecaine
CID 3050427

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one?
The IUPAC name of 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one (CID 166522312) is 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one.
What is the SMILES notation for 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one?
The canonical SMILES for 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one is COc1cccc(C(=O)C2=C(c3ccccc3)C(=O)OC2N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one?
The InChIKey is RJRPVQIMYDLYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-21(2)19-17(18(22)14-10-7-11-15(12-14)24-3)16(20(23)25-19)13-8-5-4-6-9-13/h4-12,19H,1-3H3.
What are the key properties of 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one?
2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one has a molecular weight of 337.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 166522312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).