N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide

C19H22N2O3 — CID 51318960

IUPACN-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCCC1c1ccccc1)c1ccco1
InChIInChI=1S/C19H22N2O3/c22-18(11-4-12-20-19(23)17-10-6-14-24-17)21-13-5-9-16(21)15-7-2-1-3-8-15/h1-3,6-8,10,14,16H,4-5,9,11-13H2,(H,20,23)
InChIKeyHPAYRVGUNJUKKJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.15
Rot. Bonds6

About N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide

N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide (PubChem CID 51318960) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide
PubChem CID51318960
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCCC1c1ccccc1)c1ccco1
InChIInChI=1S/C19H22N2O3/c22-18(11-4-12-20-19(23)17-10-6-14-24-17)21-13-5-9-16(21)15-7-2-1-3-8-15/h1-3,6-8,10,14,16H,4-5,9,11-13H2,(H,20,23)
InChIKeyHPAYRVGUNJUKKJ-UHFFFAOYSA-N
XLogP3.15
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide
CID 51318885
N-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 42920543
N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide
CID 42890950
methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 43409956
5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 79199360
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide
CID 39757861
N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 79030088
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide
CID 110202267
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119649101
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid
CID 61371275

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide?
The IUPAC name of N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide (CID 51318960) is N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide is O=C(NCCCC(=O)N1CCCC1c1ccccc1)c1ccco1.
What is the InChIKey of N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide?
The InChIKey is HPAYRVGUNJUKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(11-4-12-20-19(23)17-10-6-14-24-17)21-13-5-9-16(21)15-7-2-1-3-8-15/h1-3,6-8,10,14,16H,4-5,9,11-13H2,(H,20,23).
What are the key properties of N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide?
N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide is sourced from PubChem (CID 51318960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).