1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C17H24N2O3 — CID 46705226

IUPAC1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(=O)N(C)C(C)C)CC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)18(3)17(21)14-9-16(20)19(11-14)10-13-5-7-15(22-4)8-6-13/h5-8,12,14H,9-11H2,1-4H3
InChIKeyZMGYFCXRKAVMPN-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.91
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 46705226) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID46705226
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(=O)N(C)C(C)C)CC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)18(3)17(21)14-9-16(20)19(11-14)10-13-5-7-15(22-4)8-6-13/h5-8,12,14H,9-11H2,1-4H3
InChIKeyZMGYFCXRKAVMPN-UHFFFAOYSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 46705226) is 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is COc1ccc(CN2CC(C(=O)N(C)C(C)C)CC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is ZMGYFCXRKAVMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)18(3)17(21)14-9-16(20)19(11-14)10-13-5-7-15(22-4)8-6-13/h5-8,12,14H,9-11H2,1-4H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46705226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).