3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide

C20H30N2O2 — CID 126680849

IUPAC3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide
SMILESCC(C)(C)C(=O)N1CCC(CC(C)(C)C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-19(2,3)18(24)22-12-11-15(14-22)13-20(4,5)17(23)21-16-9-7-6-8-10-16/h6-10,15H,11-14H2,1-5H3,(H,21,23)
InChIKeyGRTCLWNPSOCLTL-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.94
Rot. Bonds4

About 3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide

3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide (PubChem CID 126680849) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide
PubChem CID126680849
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide
SMILESCC(C)(C)C(=O)N1CCC(CC(C)(C)C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-19(2,3)18(24)22-12-11-15(14-22)13-20(4,5)17(23)21-16-9-7-6-8-10-16/h6-10,15H,11-14H2,1-5H3,(H,21,23)
InChIKeyGRTCLWNPSOCLTL-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 129276778
(3R)-N-(3-anilinopropyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 95307693
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710
tert-butyl 3-(anilinomethyl)pyrrolidine-1-carboxylate
CID 85223002
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
[2-oxo-2-(phenylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 9059242
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 86978864
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of 3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide (CID 126680849) is 3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for 3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for 3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide is CC(C)(C)C(=O)N1CCC(CC(C)(C)C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is GRTCLWNPSOCLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-19(2,3)18(24)22-12-11-15(14-22)13-20(4,5)17(23)21-16-9-7-6-8-10-16/h6-10,15H,11-14H2,1-5H3,(H,21,23).
What are the key properties of 3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide?
3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 330.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 126680849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).