2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide

C14H20N2O — CID 174669006

IUPAC2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide
SMILESCC(CC1CCCN1)(C(N)=O)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-14(13(15)17,10-12-8-5-9-16-12)11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H2,15,17)
InChIKeyMCCSJZOJDCSCRH-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.57
Rot. Bonds4

About 2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide

2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide (PubChem CID 174669006) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide.

Molecular Properties

Compound Name2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide
PubChem CID174669006
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide
SMILESCC(CC1CCCN1)(C(N)=O)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-14(13(15)17,10-12-8-5-9-16-12)11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H2,15,17)
InChIKeyMCCSJZOJDCSCRH-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diphenyl-2-[(2R)-pyrrolidin-2-yl]ethanol
CID 89497125
2-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511132
3,3-diphenyl-1-piperidin-2-ylbutan-2-ol
CID 22237347
1-[1-(4-methylphenyl)-1-phenylethoxy]-2-pyrrolidin-2-ylethane-1,1-diol
CID 143839085
3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol
CID 105480753
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
1-[ethyl(piperidin-2-ylmethyl)amino]-2-phenylpropan-2-ol
CID 106632567
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 69169822
benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide?
The IUPAC name of 2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide (CID 174669006) is 2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide.
What is the SMILES notation for 2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide?
The canonical SMILES for 2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide is CC(CC1CCCN1)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide?
The InChIKey is MCCSJZOJDCSCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(13(15)17,10-12-8-5-9-16-12)11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H2,15,17).
What are the key properties of 2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide?
2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide is sourced from PubChem (CID 174669006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).