(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C18H20N2O3 — CID 7101882

IUPAC(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-4-6-14(7-5-13)11-19-18(22)16-8-9-17(21)20(16)12-15-3-2-10-23-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyAHERISDBQOPPND-INIZCTEOSA-N
MW312.37 g/mol
LogP2.40
Rot. Bonds5

About (2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 7101882) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID7101882
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-4-6-14(7-5-13)11-19-18(22)16-8-9-17(21)20(16)12-15-3-2-10-23-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyAHERISDBQOPPND-INIZCTEOSA-N
XLogP2.40
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 71688509
(2R)-N-(cyclopentylmethyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738938
N-[2-(dimethylamino)-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 71688511
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 95738994
(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738945
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 95738978
2-methoxy-5-[[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125153610
N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642595
(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 7101881

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 7101882) is (2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)cc1.
What is the InChIKey of (2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AHERISDBQOPPND-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-4-6-14(7-5-13)11-19-18(22)16-8-9-17(21)20(16)12-15-3-2-10-23-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 7101882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).