N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide

C19H22N2O3 — CID 51086592

IUPACN-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(20-18(22)16-9-11-24-13-16)19(23)21-10-5-8-17(21)12-15-6-3-2-4-7-15/h2-4,6-7,9,11,13-14,17H,5,8,10,12H2,1H3,(H,20,22)
InChIKeyARIBKUNUAOOPIU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.63
Rot. Bonds5

About N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 51086592) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID51086592
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(20-18(22)16-9-11-24-13-16)19(23)21-10-5-8-17(21)12-15-6-3-2-4-7-15/h2-4,6-7,9,11,13-14,17H,5,8,10,12H2,1H3,(H,20,22)
InChIKeyARIBKUNUAOOPIU-UHFFFAOYSA-N
XLogP2.63
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119631111
N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide
CID 75469859
N-[1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66260521
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 110918942
1-(2-benzylpyrrolidin-1-yl)-3-bromo-2-methylpropan-1-one
CID 159719020
(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide
CID 51965104
(E)-N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 51337925
2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid
CID 129467141
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
CID 169260137
(2S)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 54268836

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide (CID 51086592) is N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)N1CCCC1Cc1ccccc1.
What is the InChIKey of N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is ARIBKUNUAOOPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(20-18(22)16-9-11-24-13-16)19(23)21-10-5-8-17(21)12-15-6-3-2-4-7-15/h2-4,6-7,9,11,13-14,17H,5,8,10,12H2,1H3,(H,20,22).
What are the key properties of N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 51086592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).