formamido 3-(3,4-dimethoxyphenyl)propanoate

C12H15NO5 — CID 175344538

IUPACformamido 3-(3,4-dimethoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)ONC=O)cc1OC
InChIInChI=1S/C12H15NO5/c1-16-10-5-3-9(7-11(10)17-2)4-6-12(15)18-13-8-14/h3,5,7-8H,4,6H2,1-2H3,(H,13,14)
InChIKeyRPRQOMJROUOTKY-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.84
Rot. Bonds7

About formamido 3-(3,4-dimethoxyphenyl)propanoate

formamido 3-(3,4-dimethoxyphenyl)propanoate (PubChem CID 175344538) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is formamido 3-(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Nameformamido 3-(3,4-dimethoxyphenyl)propanoate
PubChem CID175344538
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Nameformamido 3-(3,4-dimethoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)ONC=O)cc1OC
InChIInChI=1S/C12H15NO5/c1-16-10-5-3-9(7-11(10)17-2)4-6-12(15)18-13-8-14/h3,5,7-8H,4,6H2,1-2H3,(H,13,14)
InChIKeyRPRQOMJROUOTKY-UHFFFAOYSA-N
XLogP0.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(3,4-dimethoxyphenyl)-2-oxobutanoate
CID 18370867
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
methyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 43377806
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
methyl 3-(3,4-dimethoxyphenyl)propanimidate
CID 95445563
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899

Frequently Asked Questions

What is the IUPAC name of formamido 3-(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of formamido 3-(3,4-dimethoxyphenyl)propanoate (CID 175344538) is formamido 3-(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for formamido 3-(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for formamido 3-(3,4-dimethoxyphenyl)propanoate is COc1ccc(CCC(=O)ONC=O)cc1OC.
What is the InChIKey of formamido 3-(3,4-dimethoxyphenyl)propanoate?
The InChIKey is RPRQOMJROUOTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-16-10-5-3-9(7-11(10)17-2)4-6-12(15)18-13-8-14/h3,5,7-8H,4,6H2,1-2H3,(H,13,14).
What are the key properties of formamido 3-(3,4-dimethoxyphenyl)propanoate?
formamido 3-(3,4-dimethoxyphenyl)propanoate has a molecular weight of 253.25 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formamido 3-(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 175344538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).