(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide

C15H23N3O — CID 104897872

IUPAC(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-17(11-12-18-9-5-6-10-18)15(19)14(16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,16H2,1H3/t14-/m0/s1
InChIKeyYATFUEMCNFLHEJ-AWEZNQCLSA-N
MW261.37 g/mol
LogP1.24
Rot. Bonds5

About (2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide

(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 104897872) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID104897872
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-17(11-12-18-9-5-6-10-18)15(19)14(16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,16H2,1H3/t14-/m0/s1
InChIKeyYATFUEMCNFLHEJ-AWEZNQCLSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
2-N-methyl-1-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206567
(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 104905132
(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide
CID 104898271
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
CID 93373727
2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone
CID 119878564
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
2-fluoro-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 110753364
N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 63321985
2-amino-N-methyl-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 119345164

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of (2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 104897872) is (2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for (2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide is CN(CCN1CCCC1)C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is YATFUEMCNFLHEJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(11-12-18-9-5-6-10-18)15(19)14(16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,16H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 104897872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).