N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C20H23N3O5 — CID 90605267

IUPACN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccco1
InChIInChI=1S/C20H23N3O5/c1-20(27,12-16-7-4-10-28-16)13-21-18(25)19(26)22-14-5-2-6-15(11-14)23-9-3-8-17(23)24/h2,4-7,10-11,27H,3,8-9,12-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyJDHVPNHAWGDXNI-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.45
Rot. Bonds6

About N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 90605267) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID90605267
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccco1
InChIInChI=1S/C20H23N3O5/c1-20(27,12-16-7-4-10-28-16)13-21-18(25)19(26)22-14-5-2-6-15(11-14)23-9-3-8-17(23)24/h2,4-7,10-11,27H,3,8-9,12-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyJDHVPNHAWGDXNI-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 95368106
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 126852459
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 90605276
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 90605271
N-[2-(dimethylamino)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584414
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
N-(furan-2-ylmethyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584405
1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100600406
N-[(4-methylphenyl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584462
N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584460
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 90605267) is N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is CC(O)(CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is JDHVPNHAWGDXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-20(27,12-16-7-4-10-28-16)13-21-18(25)19(26)22-14-5-2-6-15(11-14)23-9-3-8-17(23)24/h2,4-7,10-11,27H,3,8-9,12-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 385.42 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 90605267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).