N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C20H23N3O5 — CID 121132968

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(O)c2ccoc2)cc1N1CCCC1=O
InChIInChI=1S/C20H23N3O5/c1-13-4-5-15(11-16(13)23-9-2-3-18(23)25)22-20(27)19(26)21-8-6-17(24)14-7-10-28-12-14/h4-5,7,10-12,17,24H,2-3,6,8-9H2,1H3,(H,21,26)(H,22,27)
InChIKeyZGLOCAVYTWWNEY-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.89
Rot. Bonds6

About N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 121132968) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID121132968
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(O)c2ccoc2)cc1N1CCCC1=O
InChIInChI=1S/C20H23N3O5/c1-13-4-5-15(11-16(13)23-9-2-3-18(23)25)22-20(27)19(26)21-8-6-17(24)14-7-10-28-12-14/h4-5,7,10-12,17,24H,2-3,6,8-9H2,1H3,(H,21,26)(H,22,27)
InChIKeyZGLOCAVYTWWNEY-UHFFFAOYSA-N
XLogP1.89
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide
CID 97106397
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90534935
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 121132940
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
CID 30679260
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90535296
N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584450
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide
CID 139028024
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 121132968) is N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCC(O)c2ccoc2)cc1N1CCCC1=O.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is ZGLOCAVYTWWNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-13-4-5-15(11-16(13)23-9-2-3-18(23)25)22-20(27)19(26)21-8-6-17(24)14-7-10-28-12-14/h4-5,7,10-12,17,24H,2-3,6,8-9H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 385.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 121132968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).