4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride

C15H27Cl2N3O2 — CID 120596713

IUPAC4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)N(C)CCN(C)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O2.2ClH/c1-17(13-7-5-4-6-8-13)9-10-18(2)15(19)11-14(12-16)20-3;;/h4-8,14H,9-12,16H2,1-3H3;2*1H
InChIKeyOOCNHAXZWVRNPB-UHFFFAOYSA-N
MW352.31 g/mol
LogP1.79
Rot. Bonds8

About 4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride (PubChem CID 120596713) has the molecular formula C15H27Cl2N3O2 and a molecular weight of 352.31 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
PubChem CID120596713
Molecular FormulaC15H27Cl2N3O2
Molecular Weight352.31 g/mol
Exact Mass351.15
IUPAC Name4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)N(C)CCN(C)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O2.2ClH/c1-17(13-7-5-4-6-8-13)9-10-18(2)15(19)11-14(12-16)20-3;;/h4-8,14H,9-12,16H2,1-3H3;2*1H
InChIKeyOOCNHAXZWVRNPB-UHFFFAOYSA-N
XLogP1.79
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120594933
4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120590469
4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120587497
4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120589443
4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 103155037
3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120503843
4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide
CID 103155733
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide
CID 119881664

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride (CID 120596713) is 4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride is COC(CN)CC(=O)N(C)CCN(C)c1ccccc1.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
The InChIKey is OOCNHAXZWVRNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.2ClH/c1-17(13-7-5-4-6-8-13)9-10-18(2)15(19)11-14(12-16)20-3;;/h4-8,14H,9-12,16H2,1-3H3;2*1H.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride has a molecular weight of 352.31 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 120596713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).