N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide

C18H19N3O4 — CID 27838033

IUPACN-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H19N3O4/c22-16(9-10-19-18(24)15-3-2-12-25-15)20-13-5-7-14(8-6-13)21-11-1-4-17(21)23/h2-3,5-8,12H,1,4,9-11H2,(H,19,24)(H,20,22)
InChIKeyCEVTTZAUAGMXLL-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.16
Rot. Bonds6

About N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide

N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide (PubChem CID 27838033) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide
PubChem CID27838033
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H19N3O4/c22-16(9-10-19-18(24)15-3-2-12-25-15)20-13-5-7-14(8-6-13)21-11-1-4-17(21)23/h2-3,5-8,12H,1,4,9-11H2,(H,19,24)(H,20,22)
InChIKeyCEVTTZAUAGMXLL-UHFFFAOYSA-N
XLogP2.16
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9371428
4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 27838036
N-[2-oxo-2-[[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]amino]ethyl]furan-2-carboxamide
CID 8589592
3-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8756360
N-[4-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014564
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
3-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8597782
N-[3-oxo-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]propyl]furan-2-carboxamide
CID 55750164
N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 17487273
N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 55389157
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 78800817

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide (CID 27838033) is N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide?
The InChIKey is CEVTTZAUAGMXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-16(9-10-19-18(24)15-3-2-12-25-15)20-13-5-7-14(8-6-13)21-11-1-4-17(21)23/h2-3,5-8,12H,1,4,9-11H2,(H,19,24)(H,20,22).
What are the key properties of N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide?
N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide is sourced from PubChem (CID 27838033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).