N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide

C20H24Cl2N2O4 — CID 24588892

IUPACN-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C)CCC(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1OC
InChIInChI=1S/C20H24Cl2N2O4/c1-24(10-9-18(25)23-16-11-14(21)6-7-15(16)22)12-13-5-8-17(26-2)20(28-4)19(13)27-3/h5-8,11H,9-10,12H2,1-4H3,(H,23,25)
InChIKeyHCZMYWPWSWSEAI-UHFFFAOYSA-N
MW427.33 g/mol
LogP4.48
Rot. Bonds9

About N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide

N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide (PubChem CID 24588892) has the molecular formula C20H24Cl2N2O4 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide
PubChem CID24588892
Molecular FormulaC20H24Cl2N2O4
Molecular Weight427.33 g/mol
Exact Mass426.11
IUPAC NameN-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C)CCC(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1OC
InChIInChI=1S/C20H24Cl2N2O4/c1-24(10-9-18(25)23-16-11-14(21)6-7-15(16)22)12-13-5-8-17(26-2)20(28-4)19(13)27-3/h5-8,11H,9-10,12H2,1-4H3,(H,23,25)
InChIKeyHCZMYWPWSWSEAI-UHFFFAOYSA-N
XLogP4.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 17462179
2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 55919130
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899
N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488552
N-(2,5-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042529
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9091215
N-(4-chloro-2-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9196707
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986545
N-(5-chloro-2-cyanophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2699271

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide (CID 24588892) is N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide is COc1ccc(CN(C)CCC(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1OC.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide?
The InChIKey is HCZMYWPWSWSEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O4/c1-24(10-9-18(25)23-16-11-14(21)6-7-15(16)22)12-13-5-8-17(26-2)20(28-4)19(13)27-3/h5-8,11H,9-10,12H2,1-4H3,(H,23,25).
What are the key properties of N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide?
N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide has a molecular weight of 427.33 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 24588892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).