2-(2,3-dimethoxyphenyl)octanamide

C16H25NO3 — CID 139684199

IUPAC2-(2,3-dimethoxyphenyl)octanamide
SMILESCCCCCCC(C(N)=O)c1cccc(OC)c1OC
InChIInChI=1S/C16H25NO3/c1-4-5-6-7-9-13(16(17)18)12-10-8-11-14(19-2)15(12)20-3/h8,10-11,13H,4-7,9H2,1-3H3,(H2,17,18)
InChIKeyVROMFAZEXSDLKJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.24
Rot. Bonds9

About 2-(2,3-dimethoxyphenyl)octanamide

2-(2,3-dimethoxyphenyl)octanamide (PubChem CID 139684199) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)octanamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)octanamide
PubChem CID139684199
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(2,3-dimethoxyphenyl)octanamide
SMILESCCCCCCC(C(N)=O)c1cccc(OC)c1OC
InChIInChI=1S/C16H25NO3/c1-4-5-6-7-9-13(16(17)18)12-10-8-11-14(19-2)15(12)20-3/h8,10-11,13H,4-7,9H2,1-3H3,(H2,17,18)
InChIKeyVROMFAZEXSDLKJ-UHFFFAOYSA-N
XLogP3.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
2-(2-aminophenyl)octanamide
CID 141183798
2-(7-methoxynaphthalen-1-yl)hexanamide
CID 57317749
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
2-(2-methoxyphenyl)-N'-phenyloctanediamide
CID 66892971
2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol
CID 167458062
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
2-(1,3-benzodioxol-4-yl)octanamide;hydrochloride
CID 139684216
octan-2-yl 2,3-dimethoxybenzenecarboperoxoate
CID 173267701
2-naphthalen-1-yldodecanoic acid
CID 23333439
(2,6-dimethoxyphenyl) (2R)-2-bromohexanoate
CID 129365299

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)octanamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)octanamide (CID 139684199) is 2-(2,3-dimethoxyphenyl)octanamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)octanamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)octanamide is CCCCCCC(C(N)=O)c1cccc(OC)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)octanamide?
The InChIKey is VROMFAZEXSDLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-5-6-7-9-13(16(17)18)12-10-8-11-14(19-2)15(12)20-3/h8,10-11,13H,4-7,9H2,1-3H3,(H2,17,18).
What are the key properties of 2-(2,3-dimethoxyphenyl)octanamide?
2-(2,3-dimethoxyphenyl)octanamide has a molecular weight of 279.38 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)octanamide is sourced from PubChem (CID 139684199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).