N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C16H29Cl2N3O — CID 119853428

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCCN(CCNC(=O)C(C)CNC)c1ccccc1C.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-5-19(15-9-7-6-8-13(15)2)11-10-18-16(20)14(3)12-17-4;;/h6-9,14,17H,5,10-12H2,1-4H3,(H,18,20);2*1H
InChIKeyCLVSJFAKXUCJLU-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.64
Rot. Bonds8

About N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119853428) has the molecular formula C16H29Cl2N3O and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119853428
Molecular FormulaC16H29Cl2N3O
Molecular Weight350.33 g/mol
Exact Mass349.17
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCCN(CCNC(=O)C(C)CNC)c1ccccc1C.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-5-19(15-9-7-6-8-13(15)2)11-10-18-16(20)14(3)12-17-4;;/h6-9,14,17H,5,10-12H2,1-4H3,(H,18,20);2*1H
InChIKeyCLVSJFAKXUCJLU-UHFFFAOYSA-N
XLogP2.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807
N-ethyl-2-methyl-3-(methylamino)-N-(2-methylphenyl)propanamide
CID 79196148
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
1-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853440
2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide
CID 55717536
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438226
N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155
N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide
CID 72689859
methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
CID 63030085

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119853428) is N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CCN(CCNC(=O)C(C)CNC)c1ccccc1C.Cl.Cl.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is CLVSJFAKXUCJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.2ClH/c1-5-19(15-9-7-6-8-13(15)2)11-10-18-16(20)14(3)12-17-4;;/h6-9,14,17H,5,10-12H2,1-4H3,(H,18,20);2*1H.
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 350.33 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119853428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).