N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide

C19H23ClN2O2 — CID 109025931

IUPACN-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14-3-6-16(20)13-18(14)22-19(23)10-12-21-11-9-15-4-7-17(24-2)8-5-15/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)
InChIKeyYYALBPHQWQPNHX-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.82
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide

N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide (PubChem CID 109025931) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
PubChem CID109025931
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14-3-6-16(20)13-18(14)22-19(23)10-12-21-11-9-15-4-7-17(24-2)8-5-15/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)
InChIKeyYYALBPHQWQPNHX-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.82
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

N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028066
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
methyl 4-chloro-3-[3-[2-(4-methoxyphenyl)ethylamino]propanoylamino]benzoate
CID 109025961
N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015588
N-(4-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025153
N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024857
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705565
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
CID 100665009

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide (CID 109025931) is N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide is COc1ccc(CCNCCC(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
The InChIKey is YYALBPHQWQPNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14-3-6-16(20)13-18(14)22-19(23)10-12-21-11-9-15-4-7-17(24-2)8-5-15/h3-8,13,21H,9-12H2,1-2H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide has a molecular weight of 346.86 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109025931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).