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

C18H22N2O — CID 119549241

IUPACN-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCc2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-2-3-14-4-8-16(9-5-14)18(21)20-13-12-15-6-10-17(19)11-7-15/h4-11H,2-3,12-13,19H2,1H3,(H,20,21)
InChIKeyUKLPQHBPPSEGGI-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.19
Rot. Bonds6

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

N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide (PubChem CID 119549241) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
PubChem CID119549241
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCc2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-2-3-14-4-8-16(9-5-14)18(21)20-13-12-15-6-10-17(19)11-7-15/h4-11H,2-3,12-13,19H2,1H3,(H,20,21)
InChIKeyUKLPQHBPPSEGGI-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.19
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'}

Analyze N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
4-amino-N-[2-(1-ethylpyridin-1-ium-4-yl)ethyl]benzamide
CID 145389532
N-pentyl-4-propylbenzamide
CID 70894308
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
CID 170362896
N-hexyl-4-propylbenzamide
CID 70894310
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201
N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 119548952
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide (CID 119549241) is N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide is CCCc1ccc(C(=O)NCCc2ccc(N)cc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide?
The InChIKey is UKLPQHBPPSEGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-3-14-4-8-16(9-5-14)18(21)20-13-12-15-6-10-17(19)11-7-15/h4-11H,2-3,12-13,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide?
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.19, 6 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]-4-propylbenzamide is sourced from PubChem (CID 119549241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).