3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one

C17H26N2O2 — CID 143399199

IUPAC3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one
SMILESCC1(C)CC(CN)(CCCOCc2ccccc2)C(=O)N1
InChIInChI=1S/C17H26N2O2/c1-16(2)12-17(13-18,15(20)19-16)9-6-10-21-11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13,18H2,1-2H3,(H,19,20)
InChIKeyMVFGPJJAZQLCFX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds7

About 3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one

3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one (PubChem CID 143399199) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one
PubChem CID143399199
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one
SMILESCC1(C)CC(CN)(CCCOCc2ccccc2)C(=O)N1
InChIInChI=1S/C17H26N2O2/c1-16(2)12-17(13-18,15(20)19-16)9-6-10-21-11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13,18H2,1-2H3,(H,19,20)
InChIKeyMVFGPJJAZQLCFX-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(2-phenylmethoxyacetyl)-N-propylpyrrolidine-3-carboxamide
CID 49795125
N-tert-butyl-4-oxo-5-phenylmethoxypentanamide
CID 12173673
1-acetyl-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 137849353
2-Pyrrolidinone, 5-[(phenylmethoxy)methyl]-
CID 12180526
(5S)-5-(phenylmethoxymethyl)pyrrolidin-2-one
CID 15729453
Methyl (3-{[(benzyloxy)carbonyl]amino}-5-oxopyrrolidin-3-yl)acetate
CID 18340789
benzyl (2S)-2-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 57636950
3-(Hydroxymethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one
CID 59373349
3-(Azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one
CID 59373411
Ethyl 5,5-dimethyl-2-oxo-3-(3-phenylmethoxypropyl)pyrrolidine-3-carboxylate
CID 59373464
4-[2-(Benzyloxy)ethyl]pyrrolidin-2-one
CID 67116747
Benzyl 6-acetamido-3-amino-3-methylhexanoate
CID 67257535

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one?
The IUPAC name of 3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one (CID 143399199) is 3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one is CC1(C)CC(CN)(CCCOCc2ccccc2)C(=O)N1.
What is the InChIKey of 3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one?
The InChIKey is MVFGPJJAZQLCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)12-17(13-18,15(20)19-16)9-6-10-21-11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one?
3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 143399199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).