2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide

C16H24N2O — CID 103630550

IUPAC2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
SMILESNc1ccc(CC(=O)NCCCC2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c17-15-9-7-14(8-10-15)12-16(19)18-11-3-6-13-4-1-2-5-13/h7-10,13H,1-6,11-12,17H2,(H,18,19)
InChIKeySFBXMQUMWMSWPH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.90
Rot. Bonds6

About 2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide

2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide (PubChem CID 103630550) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
PubChem CID103630550
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
SMILESNc1ccc(CC(=O)NCCCC2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c17-15-9-7-14(8-10-15)12-16(19)18-11-3-6-13-4-1-2-5-13/h7-10,13H,1-6,11-12,17H2,(H,18,19)
InChIKeySFBXMQUMWMSWPH-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 38857062
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
CID 106011679
5-amino-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106006309
2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide
CID 63591386
2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide
CID 119885020
4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
CID 106009628
2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide
CID 115753474
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride
CID 119741910
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide (CID 103630550) is 2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide is Nc1ccc(CC(=O)NCCCC2CCCC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide?
The InChIKey is SFBXMQUMWMSWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-15-9-7-14(8-10-15)12-16(19)18-11-3-6-13-4-1-2-5-13/h7-10,13H,1-6,11-12,17H2,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide?
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide is sourced from PubChem (CID 103630550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).