3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride

C15H27Cl2N3O — CID 120503843

IUPAC3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)N(C)CCN(C)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-12(13(2)16)15(19)18(4)11-10-17(3)14-8-6-5-7-9-14;;/h5-9,12-13H,10-11,16H2,1-4H3;2*1H
InChIKeyZQDHBUXTKRBSEX-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.41
Rot. Bonds6

About 3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride

3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride (PubChem CID 120503843) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
PubChem CID120503843
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC Name3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)N(C)CCN(C)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-12(13(2)16)15(19)18(4)11-10-17(3)14-8-6-5-7-9-14;;/h5-9,12-13H,10-11,16H2,1-4H3;2*1H
InChIKeyZQDHBUXTKRBSEX-UHFFFAOYSA-N
XLogP2.41
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(carbamoylamino)-N-methyl-N-[2-(N-methylanilino)ethyl]propanamide
CID 95616247
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid
CID 122120299
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119881701
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592
methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate
CID 63029737
3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
2-(2-aminoethyl)-N-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-4-carboxamide
CID 120646541

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride (CID 120503843) is 3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride is CC(N)C(C)C(=O)N(C)CCN(C)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
The InChIKey is ZQDHBUXTKRBSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-12(13(2)16)15(19)18(4)11-10-17(3)14-8-6-5-7-9-14;;/h5-9,12-13H,10-11,16H2,1-4H3;2*1H.
What are the key properties of 3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 120503843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).