ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide

C16H27NO3 — CID 143569766

IUPACethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide
SMILESCC.CCc1c(C(CC)C(N)=O)ccc(OC)c1OC
InChIInChI=1S/C14H21NO3.C2H6/c1-5-9-11(10(6-2)14(15)16)7-8-12(17-3)13(9)18-4;1-2/h7-8,10H,5-6H2,1-4H3,(H2,15,16);1-2H3
InChIKeyXPYSJIPYMCULGJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.27
Rot. Bonds6

About ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide

ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide (PubChem CID 143569766) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Nameethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide
PubChem CID143569766
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide
SMILESCC.CCc1c(C(CC)C(N)=O)ccc(OC)c1OC
InChIInChI=1S/C14H21NO3.C2H6/c1-5-9-11(10(6-2)14(15)16)7-8-12(17-3)13(9)18-4;1-2/h7-8,10H,5-6H2,1-4H3,(H2,15,16);1-2H3
InChIKeyXPYSJIPYMCULGJ-UHFFFAOYSA-N
XLogP3.27
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-ethyl-3,4-dimethoxyphenyl)acetic acid
CID 117350529
1-(2-ethyl-3,4-dimethoxyphenyl)ethanol
CID 84677809
3-amino-2-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385837
ethyl 2-(3-bromo-2,4-dimethoxyphenyl)butanoate
CID 103523779
azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide
CID 174556728
2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide
CID 63632739
(2-ethyl-3,4-dimethoxyphenyl)sulfanyl acetate
CID 175747289
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate
CID 116964458
2-amino-2-[3,4-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117390856
2-(2-ethylphenyl)butanamide
CID 69466890
2-(2,3-dimethoxyphenyl)octanamide
CID 139684199

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide?
The IUPAC name of ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide (CID 143569766) is ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide is CC.CCc1c(C(CC)C(N)=O)ccc(OC)c1OC.
What is the InChIKey of ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide?
The InChIKey is XPYSJIPYMCULGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.C2H6/c1-5-9-11(10(6-2)14(15)16)7-8-12(17-3)13(9)18-4;1-2/h7-8,10H,5-6H2,1-4H3,(H2,15,16);1-2H3.
What are the key properties of ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide?
ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide has a molecular weight of 281.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 143569766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).