3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide

C17H27NO3 — CID 92680043

IUPAC3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCC(C)C)cc1OCC
InChIInChI=1S/C17H27NO3/c1-5-20-15-9-7-14(11-16(15)21-6-2)8-10-17(19)18-12-13(3)4/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H,18,19)
InChIKeyODSSVEHTSKJZMZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.19
Rot. Bonds9

About 3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide

3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide (PubChem CID 92680043) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
PubChem CID92680043
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCC(C)C)cc1OCC
InChIInChI=1S/C17H27NO3/c1-5-20-15-9-7-14(11-16(15)21-6-2)8-10-17(19)18-12-13(3)4/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H,18,19)
InChIKeyODSSVEHTSKJZMZ-UHFFFAOYSA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide
CID 58655109
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 38005769
3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide
CID 58655161
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide (CID 92680043) is 3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide is CCOc1ccc(CCC(=O)NCC(C)C)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide?
The InChIKey is ODSSVEHTSKJZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-20-15-9-7-14(11-16(15)21-6-2)8-10-17(19)18-12-13(3)4/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H,18,19).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide?
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 92680043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).