3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C16H24N2O2 — CID 103463484

IUPAC3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCC(NCCC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-20-13-15(14-7-3-2-4-8-14)17-10-9-16(19)18-11-5-6-12-18/h2-4,7-8,15,17H,5-6,9-13H2,1H3
InChIKeyPNCSGRCPMJKOFW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.98
Rot. Bonds7

About 3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 103463484) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID103463484
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCC(NCCC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-20-13-15(14-7-3-2-4-8-14)17-10-9-16(19)18-11-5-6-12-18/h2-4,7-8,15,17H,5-6,9-13H2,1H3
InChIKeyPNCSGRCPMJKOFW-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-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

3-[(2-methoxy-1-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 103913617
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115753017
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 61251452
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115970369
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
CID 103464013
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1R)-1-phenylethyl]urea
CID 52810285
1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone
CID 75471820

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 103463484) is 3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is COCC(NCCC(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of 3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is PNCSGRCPMJKOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-13-15(14-7-3-2-4-8-14)17-10-9-16(19)18-11-5-6-12-18/h2-4,7-8,15,17H,5-6,9-13H2,1H3.
What are the key properties of 3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 103463484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).