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

C18H21ClN2O2 — CID 109028071

IUPAC3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-23-17-8-6-16(7-9-17)21-18(22)11-13-20-12-10-14-2-4-15(19)5-3-14/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyHYTGAOQWFUVUGA-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.51
Rot. Bonds8

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

3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide (PubChem CID 109028071) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
PubChem CID109028071
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-23-17-8-6-16(7-9-17)21-18(22)11-13-20-12-10-14-2-4-15(19)5-3-14/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyHYTGAOQWFUVUGA-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide
CID 109025969
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996
N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028066
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
methyl 4-[3-[(4-chlorophenyl)methylamino]propanoylamino]benzoate
CID 109021898
methyl 4-chloro-3-[3-[2-(4-methoxyphenyl)ethylamino]propanoylamino]benzoate
CID 109025961
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025890
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
N-[2-(4-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108965075

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide (CID 109028071) is 3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is HYTGAOQWFUVUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-23-17-8-6-16(7-9-17)21-18(22)11-13-20-12-10-14-2-4-15(19)5-3-14/h2-9,20H,10-13H2,1H3,(H,21,22).
What are the key properties of 3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide?
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 332.83 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 109028071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).