4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride

C14H23ClN2O2 — CID 120589892

IUPAC4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)c1cc(C)cc(C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10-5-11(2)7-12(6-10)16(3)14(17)8-13(9-15)18-4;/h5-7,13H,8-9,15H2,1-4H3;1H
InChIKeyWPUPEXOQVHBHGC-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.05
Rot. Bonds5

About 4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride

4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride (PubChem CID 120589892) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
PubChem CID120589892
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)c1cc(C)cc(C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10-5-11(2)7-12(6-10)16(3)14(17)8-13(9-15)18-4;/h5-7,13H,8-9,15H2,1-4H3;1H
InChIKeyWPUPEXOQVHBHGC-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride (CID 120589892) is 4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride is COC(CN)CC(=O)N(C)c1cc(C)cc(C)c1.Cl.
What is the InChIKey of 4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride?
The InChIKey is WPUPEXOQVHBHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-10-5-11(2)7-12(6-10)16(3)14(17)8-13(9-15)18-4;/h5-7,13H,8-9,15H2,1-4H3;1H.
What are the key properties of 4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride?
4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 120589892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).