2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride

C13H21ClN2O4 — CID 119272316

IUPAC2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(CNC(=O)C(C)N)cc(OC)c1OC.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-8(14)13(16)15-7-9-5-10(17-2)12(19-4)11(6-9)18-3;/h5-6,8H,7,14H2,1-4H3,(H,15,16);1H
InChIKeyAYSYIMGZOZQYED-UHFFFAOYSA-N
MW304.77 g/mol
LogP1.10
Rot. Bonds6

About 2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride

2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride (PubChem CID 119272316) has the molecular formula C13H21ClN2O4 and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
PubChem CID119272316
Molecular FormulaC13H21ClN2O4
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(CNC(=O)C(C)N)cc(OC)c1OC.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-8(14)13(16)15-7-9-5-10(17-2)12(19-4)11(6-9)18-3;/h5-6,8H,7,14H2,1-4H3,(H,15,16);1H
InChIKeyAYSYIMGZOZQYED-UHFFFAOYSA-N
XLogP1.10
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119312695
(2R)-2-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride
CID 119311821
2-amino-2-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119272323
(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272311
(2S)-2-amino-4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119272313
3-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 120500013
2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120988226
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
(2S,4S)-4-formamido-2-methyl-5-oxo-5-[(3,4,5-trimethoxyphenyl)methylamino]pentanoic acid
CID 126627379
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
methyl 3-methyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate
CID 3741090

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride (CID 119272316) is 2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride is COc1cc(CNC(=O)C(C)N)cc(OC)c1OC.Cl.
What is the InChIKey of 2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The InChIKey is AYSYIMGZOZQYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4.ClH/c1-8(14)13(16)15-7-9-5-10(17-2)12(19-4)11(6-9)18-3;/h5-6,8H,7,14H2,1-4H3,(H,15,16);1H.
What are the key properties of 2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119272316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).