1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone

C15H22N2O — CID 71047036

IUPAC1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
SMILESC[C@@H]1CCCN1C(=O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12-7-6-10-17(12)15(18)11-16-13(2)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyILWULULZHZNHBA-CHWSQXEVSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds4

About 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone

1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone (PubChem CID 71047036) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
PubChem CID71047036
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
SMILESC[C@@H]1CCCN1C(=O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12-7-6-10-17(12)15(18)11-16-13(2)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyILWULULZHZNHBA-CHWSQXEVSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone 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

[(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 59210958
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene
CID 142101459
3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid
CID 43468436
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
CID 134270184
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone
CID 95353092
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
(2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid
CID 122099884
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 164786133
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
N-benzhydryl-2-methylpiperidine-1-carboxamide
CID 108867475

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone?
The IUPAC name of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone (CID 71047036) is 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone.
What is the SMILES notation for 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone?
The canonical SMILES for 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone is C[C@@H]1CCCN1C(=O)CN[C@H](C)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone?
The InChIKey is ILWULULZHZNHBA-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-7-6-10-17(12)15(18)11-16-13(2)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone?
1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone is sourced from PubChem (CID 71047036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).