2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide

C17H31NO — CID 70544396

IUPAC2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide
SMILESCC1=C(CC(C)(C)C(=O)NCC(C)C)CCC1(C)C
InChIInChI=1S/C17H31NO/c1-12(2)11-18-15(19)17(6,7)10-14-8-9-16(4,5)13(14)3/h12H,8-11H2,1-7H3,(H,18,19)
InChIKeyUZFRWRYDQVBCDA-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.31
Rot. Bonds5

About 2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide

2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide (PubChem CID 70544396) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide
PubChem CID70544396
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide
SMILESCC1=C(CC(C)(C)C(=O)NCC(C)C)CCC1(C)C
InChIInChI=1S/C17H31NO/c1-12(2)11-18-15(19)17(6,7)10-14-8-9-16(4,5)13(14)3/h12H,8-11H2,1-7H3,(H,18,19)
InChIKeyUZFRWRYDQVBCDA-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide (CID 70544396) is 2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide is CC1=C(CC(C)(C)C(=O)NCC(C)C)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide?
The InChIKey is UZFRWRYDQVBCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-12(2)11-18-15(19)17(6,7)10-14-8-9-16(4,5)13(14)3/h12H,8-11H2,1-7H3,(H,18,19).
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide?
2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide has a molecular weight of 265.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)-3-(2,3,3-trimethylcyclopenten-1-yl)propanamide is sourced from PubChem (CID 70544396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).