3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide

C16H25NO3 — CID 19221699

IUPAC3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCC(C)C)cc1OC
InChIInChI=1S/C16H25NO3/c1-5-20-14-8-6-13(10-15(14)19-4)7-9-16(18)17-11-12(2)3/h6,8,10,12H,5,7,9,11H2,1-4H3,(H,17,18)
InChIKeyLZNNHECFLDWYQZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.80
Rot. Bonds8

About 3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide

3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide (PubChem CID 19221699) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
PubChem CID19221699
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCC(C)C)cc1OC
InChIInChI=1S/C16H25NO3/c1-5-20-14-8-6-13(10-15(14)19-4)7-9-16(18)17-11-12(2)3/h6,8,10,12H,5,7,9,11H2,1-4H3,(H,17,18)
InChIKeyLZNNHECFLDWYQZ-UHFFFAOYSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
CID 108743920
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide
CID 108542841

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide (CID 19221699) is 3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide is CCOc1ccc(CCC(=O)NCC(C)C)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide?
The InChIKey is LZNNHECFLDWYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-20-14-8-6-13(10-15(14)19-4)7-9-16(18)17-11-12(2)3/h6,8,10,12H,5,7,9,11H2,1-4H3,(H,17,18).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide?
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 19221699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).