N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride

C12H20Cl3N3O2 — CID 119385515

IUPACN-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCCN.Cl.Cl
InChIInChI=1S/C12H18ClN3O2.2ClH/c1-18-11-3-2-9(13)8-10(11)15-6-4-12(17)16-7-5-14;;/h2-3,8,15H,4-7,14H2,1H3,(H,16,17);2*1H
InChIKeyUVNOSLWGQWTUSW-UHFFFAOYSA-N
MW344.67 g/mol
LogP2.07
Rot. Bonds7

About N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride

N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride (PubChem CID 119385515) has the molecular formula C12H20Cl3N3O2 and a molecular weight of 344.67 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
PubChem CID119385515
Molecular FormulaC12H20Cl3N3O2
Molecular Weight344.67 g/mol
Exact Mass343.06
IUPAC NameN-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCCN.Cl.Cl
InChIInChI=1S/C12H18ClN3O2.2ClH/c1-18-11-3-2-9(13)8-10(11)15-6-4-12(17)16-7-5-14;;/h2-3,8,15H,4-7,14H2,1H3,(H,16,17);2*1H
InChIKeyUVNOSLWGQWTUSW-UHFFFAOYSA-N
XLogP2.07
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.67
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119549697
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 119525101
3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide
CID 120827355
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-2-methylpropanoic acid
CID 119187451
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51097032
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]propanoic acid
CID 119225123
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride (CID 119385515) is N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride is COc1ccc(Cl)cc1NCCC(=O)NCCN.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride?
The InChIKey is UVNOSLWGQWTUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2.2ClH/c1-18-11-3-2-9(13)8-10(11)15-6-4-12(17)16-7-5-14;;/h2-3,8,15H,4-7,14H2,1H3,(H,16,17);2*1H.
What are the key properties of N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride?
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride has a molecular weight of 344.67 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride is sourced from PubChem (CID 119385515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).