2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide

C18H28N2O — CID 110353481

IUPAC2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)NCC(C)(C)N1CCCC1
InChIInChI=1S/C18H28N2O/c1-15(13-16-9-5-4-6-10-16)17(21)19-14-18(2,3)20-11-7-8-12-20/h4-6,9-10,15H,7-8,11-14H2,1-3H3,(H,19,21)
InChIKeyZWUFCZMPNVTOCM-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.86
Rot. Bonds6

About 2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide

2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide (PubChem CID 110353481) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide
PubChem CID110353481
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)NCC(C)(C)N1CCCC1
InChIInChI=1S/C18H28N2O/c1-15(13-16-9-5-4-6-10-16)17(21)19-14-18(2,3)20-11-7-8-12-20/h4-6,9-10,15H,7-8,11-14H2,1-3H3,(H,19,21)
InChIKeyZWUFCZMPNVTOCM-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-[(2-methyl-2-pyrrolidin-1-ylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 110413926
N-[1-[(2-methyl-2-piperidin-1-ylpropyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51164355
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 110303185
2-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyridin-2-ylpropanamide
CID 110303116
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
CID 126435297
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
3-(4-fluorophenyl)-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110302461
N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenoxypropanamide
CID 51163418
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 110911642
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenylpentanamide
CID 47005479

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide?
The IUPAC name of 2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide (CID 110353481) is 2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide is CC(Cc1ccccc1)C(=O)NCC(C)(C)N1CCCC1.
What is the InChIKey of 2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide?
The InChIKey is ZWUFCZMPNVTOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(13-16-9-5-4-6-10-16)17(21)19-14-18(2,3)20-11-7-8-12-20/h4-6,9-10,15H,7-8,11-14H2,1-3H3,(H,19,21).
What are the key properties of 2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide?
2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 110353481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).