2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride

C14H23ClN2O2 — CID 120985345

IUPAC2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-9-5-10(2)12(11(3)6-9)7-16-14(17)13(15)8-18-4;/h5-6,13H,7-8,15H2,1-4H3,(H,16,17);1H
InChIKeyCCZSSFVUBRNYDD-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.62
Rot. Bonds5

About 2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride (PubChem CID 120985345) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride
PubChem CID120985345
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-9-5-10(2)12(11(3)6-9)7-16-14(17)13(15)8-18-4;/h5-6,13H,7-8,15H2,1-4H3,(H,16,17);1H
InChIKeyCCZSSFVUBRNYDD-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 120985346
3-amino-4-oxo-4-[(2,4,6-trimethylphenyl)methylamino]butanoic acid
CID 115181303
2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 119956480
2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441
2-amino-N-(2,4-dimethylphenyl)-3-methoxypropanamide
CID 81082397
2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187544
3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116567372
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
2-(2-methoxyethylamino)-N-[(2,4,6-trimethylphenyl)methyl]acetamide;hydrochloride
CID 119716132
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
2-amino-3-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 81088885
2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187295

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride (CID 120985345) is 2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride is COCC(N)C(=O)NCc1c(C)cc(C)cc1C.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride?
The InChIKey is CCZSSFVUBRNYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-9-5-10(2)12(11(3)6-9)7-16-14(17)13(15)8-18-4;/h5-6,13H,7-8,15H2,1-4H3,(H,16,17);1H.
What are the key properties of 2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120985345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).