2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide

C17H26N2O — CID 106011679

IUPAC2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
SMILESNCc1ccccc1CC(=O)NCCCC1CCCC1
InChIInChI=1S/C17H26N2O/c18-13-16-10-4-3-9-15(16)12-17(20)19-11-5-8-14-6-1-2-7-14/h3-4,9-10,14H,1-2,5-8,11-13,18H2,(H,19,20)
InChIKeyFYAFHCTUGLEUKB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds7

About 2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide (PubChem CID 106011679) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
PubChem CID106011679
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
SMILESNCc1ccccc1CC(=O)NCCCC1CCCC1
InChIInChI=1S/C17H26N2O/c18-13-16-10-4-3-9-15(16)12-17(20)19-11-5-8-14-6-1-2-7-14/h3-4,9-10,14H,1-2,5-8,11-13,18H2,(H,19,20)
InChIKeyFYAFHCTUGLEUKB-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide
CID 115753474
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide
CID 38335877
2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106135698
2-(4-acetamidophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 38857062
1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one
CID 116596015
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413174
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide (CID 106011679) is 2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide is NCc1ccccc1CC(=O)NCCCC1CCCC1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide?
The InChIKey is FYAFHCTUGLEUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-13-16-10-4-3-9-15(16)12-17(20)19-11-5-8-14-6-1-2-7-14/h3-4,9-10,14H,1-2,5-8,11-13,18H2,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide is sourced from PubChem (CID 106011679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).