N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide

C20H25ClN2O — CID 109022888

IUPACN-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNCCc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O/c1-2-23(16-18-6-4-3-5-7-18)20(24)13-15-22-14-12-17-8-10-19(21)11-9-17/h3-11,22H,2,12-16H2,1H3
InChIKeyZTUNOEPHTFNZKL-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.91
Rot. Bonds9

About N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide

N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide (PubChem CID 109022888) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
PubChem CID109022888
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC NameN-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNCCc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O/c1-2-23(16-18-6-4-3-5-7-18)20(24)13-15-22-14-12-17-8-10-19(21)11-9-17/h3-11,22H,2,12-16H2,1H3
InChIKeyZTUNOEPHTFNZKL-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109022875
3-[benzyl-[3-(2-phenylethylamino)propanoyl]amino]propanoic acid
CID 10814125
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109022877
3-(2-phenylethylamino)-N,N-dipropylpropanamide
CID 109024274
N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109023020
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690
N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
CID 55121332
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide?
The IUPAC name of N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide (CID 109022888) is N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide?
The canonical SMILES for N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCNCCc1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide?
The InChIKey is ZTUNOEPHTFNZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-2-23(16-18-6-4-3-5-7-18)20(24)13-15-22-14-12-17-8-10-19(21)11-9-17/h3-11,22H,2,12-16H2,1H3.
What are the key properties of N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide?
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide has a molecular weight of 344.89 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide is sourced from PubChem (CID 109022888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).