N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide

C20H24N4O3 — CID 40518008

IUPACN-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESC/C(CCc1ccco1)=N\NC(=O)CNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H24N4O3/c1-15(9-10-18-7-4-12-27-18)22-23-19(25)14-21-16-5-2-6-17(13-16)24-11-3-8-20(24)26/h2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,23,25)/b22-15+
InChIKeyIJSSJWYDCSLVAZ-PXLXIMEGSA-N
MW368.44 g/mol
LogP2.94
Rot. Bonds8

About N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide

N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide (PubChem CID 40518008) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide
PubChem CID40518008
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESC/C(CCc1ccco1)=N\NC(=O)CNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H24N4O3/c1-15(9-10-18-7-4-12-27-18)22-23-19(25)14-21-16-5-2-6-17(13-16)24-11-3-8-20(24)26/h2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,23,25)/b22-15+
InChIKeyIJSSJWYDCSLVAZ-PXLXIMEGSA-N
XLogP2.94
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90605267
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
CID 115652503
2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide
CID 6287184
2-(4-acetamidophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36562536
4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
CID 32756509
1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100600406
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41112894

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The IUPAC name of N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide (CID 40518008) is N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The canonical SMILES for N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide is C/C(CCc1ccco1)=N\NC(=O)CNc1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The InChIKey is IJSSJWYDCSLVAZ-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15(9-10-18-7-4-12-27-18)22-23-19(25)14-21-16-5-2-6-17(13-16)24-11-3-8-20(24)26/h2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,23,25)/b22-15+.
What are the key properties of N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide?
N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide is sourced from PubChem (CID 40518008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).