3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide

C16H24N2O — CID 79872226

IUPAC3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
SMILESCC1(C)CCCC1NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-16(2)10-4-7-14(16)18-15(19)9-8-12-5-3-6-13(17)11-12/h3,5-6,11,14H,4,7-10,17H2,1-2H3,(H,18,19)
InChIKeyMUEPDLYNNIDRFR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.90
Rot. Bonds4

About 3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide

3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide (PubChem CID 79872226) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
PubChem CID79872226
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
SMILESCC1(C)CCCC1NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-16(2)10-4-7-14(16)18-15(19)9-8-12-5-3-6-13(17)11-12/h3,5-6,11,14H,4,7-10,17H2,1-2H3,(H,18,19)
InChIKeyMUEPDLYNNIDRFR-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide (CID 79872226) is 3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide is CC1(C)CCCC1NC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide?
The InChIKey is MUEPDLYNNIDRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)10-4-7-14(16)18-15(19)9-8-12-5-3-6-13(17)11-12/h3,5-6,11,14H,4,7-10,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide?
3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide is sourced from PubChem (CID 79872226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).