N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide

C16H25N3O — CID 61365271

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
SMILESCN(C)C(CNC(=O)CC1CCCN1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-19(2)15(13-7-4-3-5-8-13)12-18-16(20)11-14-9-6-10-17-14/h3-5,7-8,14-15,17H,6,9-12H2,1-2H3,(H,18,20)
InChIKeyCYJXYCOSLWXBBI-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.55
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide

N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 61365271) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID61365271
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
SMILESCN(C)C(CNC(=O)CC1CCCN1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-19(2)15(13-7-4-3-5-8-13)12-18-16(20)11-14-9-6-10-17-14/h3-5,7-8,14-15,17H,6,9-12H2,1-2H3,(H,18,20)
InChIKeyCYJXYCOSLWXBBI-UHFFFAOYSA-N
XLogP1.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119831071
N-(2,3-diphenylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119803974
N-[2-[benzyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119885733
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119831446
N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119804444
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 119849788
N-(2-methyl-3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119750679
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 114010293
2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 77233359
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553
(2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 67154447

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide (CID 61365271) is N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide is CN(C)C(CNC(=O)CC1CCCN1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is CYJXYCOSLWXBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(2)15(13-7-4-3-5-8-13)12-18-16(20)11-14-9-6-10-17-14/h3-5,7-8,14-15,17H,6,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61365271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).