1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide

C16H22N2O2 — CID 168695593

IUPAC1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)C(c1ccccc1)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C16H22N2O2/c1-16(2,3)14(11-7-5-4-6-8-11)18-10-12(15(17)20)9-13(18)19/h4-8,12,14H,9-10H2,1-3H3,(H2,17,20)
InChIKeyJQNYYBWAXAFTOG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.11
Rot. Bonds3

About 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide

1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168695593) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168695593
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)C(c1ccccc1)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C16H22N2O2/c1-16(2,3)14(11-7-5-4-6-8-11)18-10-12(15(17)20)9-13(18)19/h4-8,12,14H,9-10H2,1-3H3,(H2,17,20)
InChIKeyJQNYYBWAXAFTOG-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716400
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
CID 168695785
(3S)-1-benzhydryl-5-oxopyrrolidine-3-carboxylic acid
CID 735290
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-methylphenyl)acetic acid
CID 168695788
1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 168695684
2-(3-bromophenyl)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168695805
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid
CID 168695804
(3S)-1-[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266561
(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266562
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168695626

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 168695593) is 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)(C)C(c1ccccc1)N1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JQNYYBWAXAFTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)14(11-7-5-4-6-8-11)18-10-12(15(17)20)9-13(18)19/h4-8,12,14H,9-10H2,1-3H3,(H2,17,20).
What are the key properties of 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168695593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).