N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide

C18H20N2O3 — CID 815108

IUPACN-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)c1ccoc1)N1CCCC1
InChIInChI=1S/C18H20N2O3/c21-17(19-9-4-5-10-19)13-20(12-15-6-2-1-3-7-15)18(22)16-8-11-23-14-16/h1-3,6-8,11,14H,4-5,9-10,12-13H2
InChIKeyDOEITTGSQGGKBX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.54
Rot. Bonds5

About N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide

N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide (PubChem CID 815108) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide
PubChem CID815108
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)c1ccoc1)N1CCCC1
InChIInChI=1S/C18H20N2O3/c21-17(19-9-4-5-10-19)13-20(12-15-6-2-1-3-7-15)18(22)16-8-11-23-14-16/h1-3,6-8,11,14H,4-5,9-10,12-13H2
InChIKeyDOEITTGSQGGKBX-UHFFFAOYSA-N
XLogP2.54
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide
CID 1030553
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 1030764
N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 4257361
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
CID 42780168
N-cyclopropyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 814973
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate
CID 113227718
N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide
CID 95180599

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide (CID 815108) is N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide is O=C(CN(Cc1ccccc1)C(=O)c1ccoc1)N1CCCC1.
What is the InChIKey of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide?
The InChIKey is DOEITTGSQGGKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(19-9-4-5-10-19)13-20(12-15-6-2-1-3-7-15)18(22)16-8-11-23-14-16/h1-3,6-8,11,14H,4-5,9-10,12-13H2.
What are the key properties of N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide?
N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide is sourced from PubChem (CID 815108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).