3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide

C17H27NO3 — CID 49366734

IUPAC3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide
SMILESCCCC(C)(C)NC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-6-11-17(2,3)18-16(19)10-8-13-7-9-14(20-4)15(12-13)21-5/h7,9,12H,6,8,10-11H2,1-5H3,(H,18,19)
InChIKeyIVSAGJWBROACRA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.33
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide

3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide (PubChem CID 49366734) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide
PubChem CID49366734
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide
SMILESCCCC(C)(C)NC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-6-11-17(2,3)18-16(19)10-8-13-7-9-14(20-4)15(12-13)21-5/h7,9,12H,6,8,10-11H2,1-5H3,(H,18,19)
InChIKeyIVSAGJWBROACRA-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 82354510
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110001057
N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113044288
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119643560
4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
CID 134479395
methyl 4-(3,4-dimethoxyphenyl)-2-oxobutanoate
CID 18370867
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide (CID 49366734) is 3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide is CCCC(C)(C)NC(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide?
The InChIKey is IVSAGJWBROACRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-11-17(2,3)18-16(19)10-8-13-7-9-14(20-4)15(12-13)21-5/h7,9,12H,6,8,10-11H2,1-5H3,(H,18,19).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide is sourced from PubChem (CID 49366734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).