1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one

C16H24N2O2 — CID 60930964

IUPAC1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESCCOc1ccc(CNC(C)CN2CCCC2=O)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-8-6-14(7-9-15)11-17-13(2)12-18-10-4-5-16(18)19/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyMXLBFWZLWZQZNO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds7

About 1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one

1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 60930964) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
PubChem CID60930964
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESCCOc1ccc(CNC(C)CN2CCCC2=O)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-8-6-14(7-9-15)11-17-13(2)12-18-10-4-5-16(18)19/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyMXLBFWZLWZQZNO-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Safinamide
CID 131682
Ambucetamide
CID 10616
Priralfinamide
CID 5745207
(2S,5R)-5-(4-((2-Fluorophenyl)methoxy)phenyl)-2-pyrrolidinecarboxamide
CID 16046068
2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
N-(3,3-Dimethyl-cyclopentyl)-4-hexyloxy-benzamide
CID 10870843
N-(4-methoxybenzyl)oleamide
CID 11502240
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]amino}pentanamide
CID 23648304

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one (CID 60930964) is 1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one is CCOc1ccc(CNC(C)CN2CCCC2=O)cc1.
What is the InChIKey of 1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is MXLBFWZLWZQZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-15-8-6-14(7-9-15)11-17-13(2)12-18-10-4-5-16(18)19/h6-9,13,17H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one?
1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 60930964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).