3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide

C16H25NO3 — CID 43048906

IUPAC3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C16H25NO3/c1-11(2)12(3)17-16(18)9-6-13-10-14(19-4)7-8-15(13)20-5/h7-8,10-12H,6,9H2,1-5H3,(H,17,18)
InChIKeyPTGWEDMOMSNTLW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.80
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide

3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide (PubChem CID 43048906) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
PubChem CID43048906
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C16H25NO3/c1-11(2)12(3)17-16(18)9-6-13-10-14(19-4)7-8-15(13)20-5/h7-8,10-12H,6,9H2,1-5H3,(H,17,18)
InChIKeyPTGWEDMOMSNTLW-UHFFFAOYSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 134046801
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489494
3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650953
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
2-[[3-(2,5-dimethoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253559
3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 38501975
3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55666210

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide (CID 43048906) is 3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide is COc1ccc(OC)c(CCC(=O)NC(C)C(C)C)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide?
The InChIKey is PTGWEDMOMSNTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)12(3)17-16(18)9-6-13-10-14(19-4)7-8-15(13)20-5/h7-8,10-12H,6,9H2,1-5H3,(H,17,18).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide?
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 43048906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).