3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide

C20H26N2O — CID 143044176

IUPAC3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide
SMILESCCc1ccc(C(=O)NCCCc2ccccc2)cc1CCN
InChIInChI=1S/C20H26N2O/c1-2-17-10-11-19(15-18(17)12-13-21)20(23)22-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,2,6,9,12-14,21H2,1H3,(H,22,23)
InChIKeyZXAQJZLCUGVMIO-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.11
Rot. Bonds8

About 3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide

3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide (PubChem CID 143044176) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide
PubChem CID143044176
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide
SMILESCCc1ccc(C(=O)NCCCc2ccccc2)cc1CCN
InChIInChI=1S/C20H26N2O/c1-2-17-10-11-19(15-18(17)12-13-21)20(23)22-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,2,6,9,12-14,21H2,1H3,(H,22,23)
InChIKeyZXAQJZLCUGVMIO-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.11
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

4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide
CID 113236698
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide (CID 143044176) is 3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide is CCc1ccc(C(=O)NCCCc2ccccc2)cc1CCN.
What is the InChIKey of 3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide?
The InChIKey is ZXAQJZLCUGVMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-17-10-11-19(15-18(17)12-13-21)20(23)22-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,2,6,9,12-14,21H2,1H3,(H,22,23).
What are the key properties of 3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide?
3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide has a molecular weight of 310.44 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 143044176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).