N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide

C14H20N2O — CID 113265633

IUPACN-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
SMILESNc1ccc(CCNC(=O)CC2CCC2)cc1
InChIInChI=1S/C14H20N2O/c15-13-6-4-11(5-7-13)8-9-16-14(17)10-12-2-1-3-12/h4-7,12H,1-3,8-10,15H2,(H,16,17)
InChIKeyYENNXAWXUHUNAM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide

N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide (PubChem CID 113265633) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
PubChem CID113265633
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
SMILESNc1ccc(CCNC(=O)CC2CCC2)cc1
InChIInChI=1S/C14H20N2O/c15-13-6-4-11(5-7-13)8-9-16-14(17)10-12-2-1-3-12/h4-7,12H,1-3,8-10,15H2,(H,16,17)
InChIKeyYENNXAWXUHUNAM-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide
CID 119549120
N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
CID 112789122
N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 81479001
N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
CID 114457049
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119547626
4-[2-(3-cyclobutylpropanoylamino)ethyl]benzoic acid
CID 120512953

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide (CID 113265633) is N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide is Nc1ccc(CCNC(=O)CC2CCC2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide?
The InChIKey is YENNXAWXUHUNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-13-6-4-11(5-7-13)8-9-16-14(17)10-12-2-1-3-12/h4-7,12H,1-3,8-10,15H2,(H,16,17).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide?
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide has a molecular weight of 232.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide is sourced from PubChem (CID 113265633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).