4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride

C15H25ClN2O2 — CID 120586519

IUPAC4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1c(C)cccc1C(C)C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-10(2)13-7-5-6-11(3)15(13)17-14(18)8-12(9-16)19-4;/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18);1H
InChIKeyIUHLNIISYYAPIQ-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.84
Rot. Bonds6

About 4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride

4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride (PubChem CID 120586519) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride
PubChem CID120586519
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1c(C)cccc1C(C)C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-10(2)13-7-5-6-11(3)15(13)17-14(18)8-12(9-16)19-4;/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18);1H
InChIKeyIUHLNIISYYAPIQ-UHFFFAOYSA-N
XLogP2.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413
1-O-methyl 4-O-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 9112146
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-(4-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7688543
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzoate
CID 2105140
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228079
2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3634082
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride (CID 120586519) is 4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride is COC(CN)CC(=O)Nc1c(C)cccc1C(C)C.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride?
The InChIKey is IUHLNIISYYAPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-10(2)13-7-5-6-11(3)15(13)17-14(18)8-12(9-16)19-4;/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 120586519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).