7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione

C18H21NO4 — CID 53368870

IUPAC7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC(C)Oc1cccc(C2CC(=O)NC3=C2C(=O)OC3(C)C)c1
InChIInChI=1S/C18H21NO4/c1-10(2)22-12-7-5-6-11(8-12)13-9-14(20)19-16-15(13)17(21)23-18(16,3)4/h5-8,10,13H,9H2,1-4H3,(H,19,20)
InChIKeyFCTXZQYSSXIFOS-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.67
Rot. Bonds3

About 7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione

7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 53368870) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
PubChem CID53368870
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC(C)Oc1cccc(C2CC(=O)NC3=C2C(=O)OC3(C)C)c1
InChIInChI=1S/C18H21NO4/c1-10(2)22-12-7-5-6-11(8-12)13-9-14(20)19-16-15(13)17(21)23-18(16,3)4/h5-8,10,13H,9H2,1-4H3,(H,19,20)
InChIKeyFCTXZQYSSXIFOS-UHFFFAOYSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione with MolForge

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Related Compounds

(4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98233998
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 40645363
4-(3-propan-2-yloxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135633978
(4R)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98233766
(4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98233765
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 56698823
4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66106950
4-(3-methylphenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061722
4-(3-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062341
(7R)-3-(3-fluorophenyl)-5-oxo-7-(3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061485
5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66108724
(4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98234742

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (CID 53368870) is 7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is CC(C)Oc1cccc(C2CC(=O)NC3=C2C(=O)OC3(C)C)c1.
What is the InChIKey of 7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is FCTXZQYSSXIFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-10(2)22-12-7-5-6-11(8-12)13-9-14(20)19-16-15(13)17(21)23-18(16,3)4/h5-8,10,13H,9H2,1-4H3,(H,19,20).
What are the key properties of 7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 315.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 53368870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).