N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C14H20N2O3 — CID 78981748

IUPACN-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(CN(C(=O)C2CNC(=O)C2)C(C)C)o1
InChIInChI=1S/C14H20N2O3/c1-9(2)16(8-12-5-4-10(3)19-12)14(18)11-6-13(17)15-7-11/h4-5,9,11H,6-8H2,1-3H3,(H,15,17)
InChIKeyAVDBKHKWKDJFDZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.46
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 78981748) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID78981748
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(CN(C(=O)C2CNC(=O)C2)C(C)C)o1
InChIInChI=1S/C14H20N2O3/c1-9(2)16(8-12-5-4-10(3)19-12)14(18)11-6-13(17)15-7-11/h4-5,9,11H,6-8H2,1-3H3,(H,15,17)
InChIKeyAVDBKHKWKDJFDZ-UHFFFAOYSA-N
XLogP1.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 66010634
4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 79511403
N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 78981416
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 83193312
N-[(5-methylfuran-2-yl)methyl]-1-(2-nitrophenyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 55856085
1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 55855836
1-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 60947085
3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 75416166
2-methyl-2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 62847266
2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
CID 104596462

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 78981748) is N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is Cc1ccc(CN(C(=O)C2CNC(=O)C2)C(C)C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is AVDBKHKWKDJFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)16(8-12-5-4-10(3)19-12)14(18)11-6-13(17)15-7-11/h4-5,9,11H,6-8H2,1-3H3,(H,15,17).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 78981748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).