3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide

C16H25ClN2O — CID 109032115

IUPAC3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNCCc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-2-3-4-10-19-16(20)9-12-18-11-8-14-6-5-7-15(17)13-14/h5-7,13,18H,2-4,8-12H2,1H3,(H,19,20)
InChIKeyWJNJENPVQYUVMA-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.17
Rot. Bonds10

About 3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide

3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide (PubChem CID 109032115) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
PubChem CID109032115
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNCCc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-2-3-4-10-19-16(20)9-12-18-11-8-14-6-5-7-15(17)13-14/h5-7,13,18H,2-4,8-12H2,1H3,(H,19,20)
InChIKeyWJNJENPVQYUVMA-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.17
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

N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121
N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109033314
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577
N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109033323

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide?
The IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide (CID 109032115) is 3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide is CCCCCNC(=O)CCNCCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide?
The InChIKey is WJNJENPVQYUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-2-3-4-10-19-16(20)9-12-18-11-8-14-6-5-7-15(17)13-14/h5-7,13,18H,2-4,8-12H2,1H3,(H,19,20).
What are the key properties of 3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide?
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide has a molecular weight of 296.84 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide is sourced from PubChem (CID 109032115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).