2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide

C17H26N2O — CID 106591532

IUPAC2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
SMILESCCC1CCC(NC(=O)C(C)c2cccc(N)c2)C1C
InChIInChI=1S/C17H26N2O/c1-4-13-8-9-16(11(13)2)19-17(20)12(3)14-6-5-7-15(18)10-14/h5-7,10-13,16H,4,8-9,18H2,1-3H3,(H,19,20)
InChIKeyGEEVBWXZSQMGPL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.31
Rot. Bonds4

About 2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide

2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide (PubChem CID 106591532) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
PubChem CID106591532
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
SMILESCCC1CCC(NC(=O)C(C)c2cccc(N)c2)C1C
InChIInChI=1S/C17H26N2O/c1-4-13-8-9-16(11(13)2)19-17(20)12(3)14-6-5-7-15(18)10-14/h5-7,10-13,16H,4,8-9,18H2,1-3H3,(H,19,20)
InChIKeyGEEVBWXZSQMGPL-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
CID 106591528
2-(3-aminophenyl)-N-(2-methoxycyclopentyl)propanamide
CID 106591347
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 106591180
2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide
CID 106591319
2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide
CID 106591567
2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 64921700
N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide
CID 107031086
2-(4-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)acetamide
CID 64922495
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide (CID 106591532) is 2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide is CCC1CCC(NC(=O)C(C)c2cccc(N)c2)C1C.
What is the InChIKey of 2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide?
The InChIKey is GEEVBWXZSQMGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-13-8-9-16(11(13)2)19-17(20)12(3)14-6-5-7-15(18)10-14/h5-7,10-13,16H,4,8-9,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide?
2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide is sourced from PubChem (CID 106591532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).