3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide

C17H26N2O — CID 114549618

IUPAC3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)CCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C17H26N2O/c1-13-4-8-15(12-13)18-17(20)11-7-14-5-9-16(10-6-14)19(2)3/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3,(H,18,20)
InChIKeyOPHRVATXEDYISC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.99
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide

3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide (PubChem CID 114549618) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide
PubChem CID114549618
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)CCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C17H26N2O/c1-13-4-8-15(12-13)18-17(20)11-7-14-5-9-16(10-6-14)19(2)3/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3,(H,18,20)
InChIKeyOPHRVATXEDYISC-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide
CID 114549652
3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110473838
2-(4-butylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549772
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106321351
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide
CID 78922185
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343
3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide
CID 91761249
2-(3,4-dimethylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114550146
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-methylcyclopentyl)acetamide
CID 114549929
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide (CID 114549618) is 3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide is CC1CCC(NC(=O)CCc2ccc(N(C)C)cc2)C1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide?
The InChIKey is OPHRVATXEDYISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-4-8-15(12-13)18-17(20)11-7-14-5-9-16(10-6-14)19(2)3/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3,(H,18,20).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide?
3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide is sourced from PubChem (CID 114549618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).