2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride

C16H27ClN2O2 — CID 90674130

IUPAC2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride
SMILESCCCCOc1cc(C)c(N(C)C(=O)C(C)N)c(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-6-7-8-20-14-9-11(2)15(12(3)10-14)18(5)16(19)13(4)17;/h9-10,13H,6-8,17H2,1-5H3;1H
InChIKeyZVLNYVAWFNUHJI-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.21
Rot. Bonds6

About 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride

2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride (PubChem CID 90674130) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride
PubChem CID90674130
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride
SMILESCCCCOc1cc(C)c(N(C)C(=O)C(C)N)c(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-6-7-8-20-14-9-11(2)15(12(3)10-14)18(5)16(19)13(4)17;/h9-10,13H,6-8,17H2,1-5H3;1H
InChIKeyZVLNYVAWFNUHJI-UHFFFAOYSA-N
XLogP3.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride (CID 90674130) is 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride is CCCCOc1cc(C)c(N(C)C(=O)C(C)N)c(C)c1.Cl.
What is the InChIKey of 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride?
The InChIKey is ZVLNYVAWFNUHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-6-7-8-20-14-9-11(2)15(12(3)10-14)18(5)16(19)13(4)17;/h9-10,13H,6-8,17H2,1-5H3;1H.
What are the key properties of 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride?
2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 90674130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).