N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide

C21H26N2O — CID 86888403

IUPACN-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide
SMILESCN(CCc1ccccc1)C(=O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C21H26N2O/c1-22(17-14-18-10-4-2-5-11-18)21(24)20(23-15-8-9-16-23)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3
InChIKeyQKWNFDNXTKDPQE-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.52
Rot. Bonds6

About N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide

N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 86888403) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide
PubChem CID86888403
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide
SMILESCN(CCc1ccccc1)C(=O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C21H26N2O/c1-22(17-14-18-10-4-2-5-11-18)21(24)20(23-15-8-9-16-23)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3
InChIKeyQKWNFDNXTKDPQE-UHFFFAOYSA-N
XLogP3.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-cyclopentylpiperazin-1-yl)-N-methyl-2-phenylacetamide
CID 20666481
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
CID 18342726
N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide
CID 56513346
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
3-[[(2S)-2-(3-bromophenyl)-2-pyrrolidin-1-ylacetyl]-methylamino]propanoic acid
CID 125152332
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 59903091
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)-2-phenylacetamide
CID 22086498
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-[4-(2-oxopropyl)-4-phenylpiperidin-1-yl]-2-phenylacetamide
CID 54438814
3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide
CID 107031339
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide (CID 86888403) is N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide is CN(CCc1ccccc1)C(=O)C(c1ccccc1)N1CCCC1.
What is the InChIKey of N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is QKWNFDNXTKDPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-22(17-14-18-10-4-2-5-11-18)21(24)20(23-15-8-9-16-23)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide?
N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 322.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 86888403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).