N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide

C20H24Cl2N2O2 — CID 56524555

IUPACN-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide
SMILESCCN(CCC(=O)Nc1c(Cl)cccc1Cl)C(C)c1cccc(OC)c1
InChIInChI=1S/C20H24Cl2N2O2/c1-4-24(14(2)15-7-5-8-16(13-15)26-3)12-11-19(25)23-20-17(21)9-6-10-18(20)22/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,25)
InChIKeyJDHORHLJQZMNFF-UHFFFAOYSA-N
MW395.33 g/mol
LogP5.41
Rot. Bonds8

About N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide

N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide (PubChem CID 56524555) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide
PubChem CID56524555
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC NameN-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide
SMILESCCN(CCC(=O)Nc1c(Cl)cccc1Cl)C(C)c1cccc(OC)c1
InChIInChI=1S/C20H24Cl2N2O2/c1-4-24(14(2)15-7-5-8-16(13-15)26-3)12-11-19(25)23-20-17(21)9-6-10-18(20)22/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,25)
InChIKeyJDHORHLJQZMNFF-UHFFFAOYSA-N
XLogP5.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55702850
3-[1-[3-(difluoromethoxy)phenyl]ethyl-ethylamino]propanoic acid
CID 65062861
N-benzyl-2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 75878483
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596
N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554153
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-(4-sulfamoylphenyl)acetamide
CID 55700187
N-(2,6-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 43405262
3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 24588780
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 75878457
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 28577552

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide (CID 56524555) is N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide is CCN(CCC(=O)Nc1c(Cl)cccc1Cl)C(C)c1cccc(OC)c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide?
The InChIKey is JDHORHLJQZMNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-4-24(14(2)15-7-5-8-16(13-15)26-3)12-11-19(25)23-20-17(21)9-6-10-18(20)22/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,25).
What are the key properties of N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide?
N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide has a molecular weight of 395.33 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 56524555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).