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

C12H17Cl2N3O — CID 55103947

IUPAC3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
SMILESCN(CCN)CCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N3O/c1-17(7-5-15)6-4-12(18)16-11-8-9(13)2-3-10(11)14/h2-3,8H,4-7,15H2,1H3,(H,16,18)
InChIKeyCPTZJEZLDZASGH-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.21
Rot. Bonds6

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

3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide (PubChem CID 55103947) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
PubChem CID55103947
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
SMILESCN(CCN)CCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N3O/c1-17(7-5-15)6-4-12(18)16-11-8-9(13)2-3-10(11)14/h2-3,8H,4-7,15H2,1H3,(H,16,18)
InChIKeyCPTZJEZLDZASGH-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986545
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide
CID 113117624
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide
CID 24588892
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112511

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of 3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide (CID 55103947) is 3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide is CN(CCN)CCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is CPTZJEZLDZASGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-17(7-5-15)6-4-12(18)16-11-8-9(13)2-3-10(11)14/h2-3,8H,4-7,15H2,1H3,(H,16,18).
What are the key properties of 3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide?
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 290.19 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 55103947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).