N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide

C20H24Cl2N2O2 — CID 109025643

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide
SMILESCOc1cccc(CCNCCC(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H24Cl2N2O2/c1-26-18-4-2-3-15(13-18)7-10-23-11-9-20(25)24-12-8-16-5-6-17(21)14-19(16)22/h2-6,13-14,23H,7-12H2,1H3,(H,24,25)
InChIKeyJGMNPQMVJKMNGV-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.88
Rot. Bonds10

About N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide (PubChem CID 109025643) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide
PubChem CID109025643
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide
SMILESCOc1cccc(CCNCCC(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H24Cl2N2O2/c1-26-18-4-2-3-15(13-18)7-10-23-11-9-20(25)24-12-8-16-5-6-17(21)14-19(16)22/h2-6,13-14,23H,7-12H2,1H3,(H,24,25)
InChIKeyJGMNPQMVJKMNGV-UHFFFAOYSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.88
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-[2-(2,4-dichlorophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 112977363
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 109025637
N-[2-(3-chlorophenyl)ethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 109006805
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025597
3-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 109019095
1-(5-chloro-2-hydroxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900950
N-(3-chloro-4-methoxyphenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025681
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025741

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide (CID 109025643) is N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide is COc1cccc(CCNCCC(=O)NCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide?
The InChIKey is JGMNPQMVJKMNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-26-18-4-2-3-15(13-18)7-10-23-11-9-20(25)24-12-8-16-5-6-17(21)14-19(16)22/h2-6,13-14,23H,7-12H2,1H3,(H,24,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide has a molecular weight of 395.33 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109025643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).