2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide

C18H26N2O2 — CID 108958446

IUPAC2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)c1ccc(NC(=O)C(C)(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13(2)14-7-9-15(10-8-14)19-16(21)18(3,4)17(22)20-11-5-6-12-20/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeyHDPBPMHWPBGJIY-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.40
Rot. Bonds4

About 2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide

2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 108958446) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID108958446
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)c1ccc(NC(=O)C(C)(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13(2)14-7-9-15(10-8-14)19-16(21)18(3,4)17(22)20-11-5-6-12-20/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeyHDPBPMHWPBGJIY-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108965646
methyl 4-[(2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanoyl)amino]benzoate
CID 108958865
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958898
3-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967044
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967055
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958892
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968519
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
N-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960941
N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958859
methyl 4-[[2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108960803

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of 2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide (CID 108958446) is 2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for 2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for 2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide is CC(C)c1ccc(NC(=O)C(C)(C)C(=O)N2CCCC2)cc1.
What is the InChIKey of 2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is HDPBPMHWPBGJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)14-7-9-15(10-8-14)19-16(21)18(3,4)17(22)20-11-5-6-12-20/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,21).
What are the key properties of 2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide?
2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108958446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).