N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide

C13H19ClN2O — CID 62836136

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-2-15-9-8-13(17)16-10-7-11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyRUVHHBJFKMHVHG-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.00
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide (PubChem CID 62836136) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
PubChem CID62836136
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-2-15-9-8-13(17)16-10-7-11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyRUVHHBJFKMHVHG-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.00
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-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
CID 109027901
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
CID 109027923
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
1-(4-chlorophenyl)-4-(ethylamino)butan-2-one
CID 116565670
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide (CID 62836136) is N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide is CCNCCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide?
The InChIKey is RUVHHBJFKMHVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-15-9-8-13(17)16-10-7-11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide has a molecular weight of 254.76 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 62836136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).