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

C13H21ClN2O4 — CID 119295082

IUPAC3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(OC)c(CNC(=O)CCN)c(OC)c1.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-17-9-6-11(18-2)10(12(7-9)19-3)8-15-13(16)4-5-14;/h6-7H,4-5,8,14H2,1-3H3,(H,15,16);1H
InChIKeyAAPAFCCHRGWVPT-UHFFFAOYSA-N
MW304.77 g/mol
LogP1.10
Rot. Bonds7

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

3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride (PubChem CID 119295082) has the molecular formula C13H21ClN2O4 and a molecular weight of 304.77 g/mol. Its IUPAC name is 3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
PubChem CID119295082
Molecular FormulaC13H21ClN2O4
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(OC)c(CNC(=O)CCN)c(OC)c1.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-17-9-6-11(18-2)10(12(7-9)19-3)8-15-13(16)4-5-14;/h6-7H,4-5,8,14H2,1-3H3,(H,15,16);1H
InChIKeyAAPAFCCHRGWVPT-UHFFFAOYSA-N
XLogP1.10
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119320840
(2S)-2-amino-3,3-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119733862
2-amino-N-[(2,6-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 20788707
3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
CID 115173817
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
CID 115155305
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119733881
3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119733857
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784320
(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid
CID 172824668
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride (CID 119295082) is 3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride is COc1cc(OC)c(CNC(=O)CCN)c(OC)c1.Cl.
What is the InChIKey of 3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The InChIKey is AAPAFCCHRGWVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4.ClH/c1-17-9-6-11(18-2)10(12(7-9)19-3)8-15-13(16)4-5-14;/h6-7H,4-5,8,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride?
3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119295082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).