3-(3,4-dimethoxyphenyl)propanamide;hydrochloride

C11H16ClNO3 — CID 70371168

IUPAC3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(N)=O)cc1OC.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2;/h3,5,7H,4,6H2,1-2H3,(H2,12,13);1H
InChIKeyBRVJPMGPMMWVGE-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.54
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)propanamide;hydrochloride

3-(3,4-dimethoxyphenyl)propanamide;hydrochloride (PubChem CID 70371168) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
PubChem CID70371168
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(N)=O)cc1OC.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2;/h3,5,7H,4,6H2,1-2H3,(H2,12,13);1H
InChIKeyBRVJPMGPMMWVGE-UHFFFAOYSA-N
XLogP1.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
methyl 4-(3,4-dimethoxyphenyl)-2-oxobutanoate
CID 18370867
13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide
CID 88651362
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498
N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 82354510

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(3,4-dimethoxyphenyl)propanamide;hydrochloride (CID 70371168) is 3-(3,4-dimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)propanamide;hydrochloride is COc1ccc(CCC(N)=O)cc1OC.Cl.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is BRVJPMGPMMWVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2;/h3,5,7H,4,6H2,1-2H3,(H2,12,13);1H.
What are the key properties of 3-(3,4-dimethoxyphenyl)propanamide;hydrochloride?
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 70371168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).