4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide

C13H20N2O2 — CID 103155733

IUPAC4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide
SMILESCOC(CN)CC(=O)N(C)c1cccc(C)c1
InChIInChI=1S/C13H20N2O2/c1-10-5-4-6-11(7-10)15(2)13(16)8-12(9-14)17-3/h4-7,12H,8-9,14H2,1-3H3
InChIKeyZNDGELOMSCHZGK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds5

About 4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide

4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide (PubChem CID 103155733) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide
PubChem CID103155733
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide
SMILESCOC(CN)CC(=O)N(C)c1cccc(C)c1
InChIInChI=1S/C13H20N2O2/c1-10-5-4-6-11(7-10)15(2)13(16)8-12(9-14)17-3/h4-7,12H,8-9,14H2,1-3H3
InChIKeyZNDGELOMSCHZGK-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120589892
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
4-amino-N-(4-ethylphenyl)-3-methoxy-N-methylbutanamide
CID 103155730
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120590068
2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
CID 113270071
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide
CID 107735030
4-amino-N-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide
CID 120592654
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
methyl 2-amino-4-(N,3-dimethylanilino)butanoate
CID 63053473
(2R)-2-amino-N-methyl-N-(3-methylphenyl)pentanamide
CID 103794882

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide (CID 103155733) is 4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide is COC(CN)CC(=O)N(C)c1cccc(C)c1.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide?
The InChIKey is ZNDGELOMSCHZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-5-4-6-11(7-10)15(2)13(16)8-12(9-14)17-3/h4-7,12H,8-9,14H2,1-3H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide?
4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 103155733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).