methyl 3-(3,4-dimethoxyphenyl)propanimidate

C12H17NO3 — CID 95445563

IUPACmethyl 3-(3,4-dimethoxyphenyl)propanimidate
SMILES[H]/N=C(/CCc1ccc(OC)c(OC)c1)OC
InChIInChI=1S/C12H17NO3/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4,6,8,13H,5,7H2,1-3H3/b13-12-
InChIKeyVPPXROZFWGXTQB-SEYXRHQNSA-N
MW223.27 g/mol
LogP2.26
Rot. Bonds5

About methyl 3-(3,4-dimethoxyphenyl)propanimidate

methyl 3-(3,4-dimethoxyphenyl)propanimidate (PubChem CID 95445563) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxyphenyl)propanimidate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxyphenyl)propanimidate
PubChem CID95445563
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 3-(3,4-dimethoxyphenyl)propanimidate
SMILES[H]/N=C(/CCc1ccc(OC)c(OC)c1)OC
InChIInChI=1S/C12H17NO3/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4,6,8,13H,5,7H2,1-3H3/b13-12-
InChIKeyVPPXROZFWGXTQB-SEYXRHQNSA-N
XLogP2.26
TPSA51.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(3,4-dimethoxyphenyl)-2-oxobutanoate
CID 18370867
3-(3,4-dimethoxyphenyl)-N-hydroxypropanethioamide
CID 88780163
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
formamido 3-(3,4-dimethoxyphenyl)propanoate
CID 175344538
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
2-(3,4-dimethoxyphenyl)ethyl (NE)-N-ethylidenecarbamimidate
CID 143846956
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxyphenyl)propanimidate?
The IUPAC name of methyl 3-(3,4-dimethoxyphenyl)propanimidate (CID 95445563) is methyl 3-(3,4-dimethoxyphenyl)propanimidate.
What is the SMILES notation for methyl 3-(3,4-dimethoxyphenyl)propanimidate?
The canonical SMILES for methyl 3-(3,4-dimethoxyphenyl)propanimidate is [H]/N=C(/CCc1ccc(OC)c(OC)c1)OC.
What is the InChIKey of methyl 3-(3,4-dimethoxyphenyl)propanimidate?
The InChIKey is VPPXROZFWGXTQB-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4,6,8,13H,5,7H2,1-3H3/b13-12-.
What are the key properties of methyl 3-(3,4-dimethoxyphenyl)propanimidate?
methyl 3-(3,4-dimethoxyphenyl)propanimidate has a molecular weight of 223.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxyphenyl)propanimidate is sourced from PubChem (CID 95445563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).