4-butoxy-3,5-dimethoxybenzamide

C13H19NO4 — CID 3027029

IUPAC4-butoxy-3,5-dimethoxybenzamide
SMILESCCCCOc1c(OC)cc(C(N)=O)cc1OC
InChIInChI=1S/C13H19NO4/c1-4-5-6-18-12-10(16-2)7-9(13(14)15)8-11(12)17-3/h7-8H,4-6H2,1-3H3,(H2,14,15)
InChIKeyAPZBGWLAWCGETP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.98
Rot. Bonds7

About 4-butoxy-3,5-dimethoxybenzamide

4-butoxy-3,5-dimethoxybenzamide (PubChem CID 3027029) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-butoxy-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-butoxy-3,5-dimethoxybenzamide
PubChem CID3027029
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4-butoxy-3,5-dimethoxybenzamide
SMILESCCCCOc1c(OC)cc(C(N)=O)cc1OC
InChIInChI=1S/C13H19NO4/c1-4-5-6-18-12-10(16-2)7-9(13(14)15)8-11(12)17-3/h7-8H,4-6H2,1-3H3,(H2,14,15)
InChIKeyAPZBGWLAWCGETP-UHFFFAOYSA-N
XLogP1.98
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3-methoxybenzamide
CID 47102628
4-butoxy-3,5-diiodobenzamide
CID 24834301
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
4-methoxy-3-pentoxybenzamide
CID 82041442
3-bromo-4-butoxy-5-methoxybenzenecarbothioamide
CID 7745270
3,4,5-tris(3-aminopropoxy)benzamide
CID 69015345
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxy-3-chloro-5-methoxybenzoate
CID 7952399
octyl 3,4,5-trimethoxybenzoate
CID 54343365
4-hydroxy-3-methoxybenzamide;nonane
CID 174831625
octadecyl 3,4,5-trimethoxybenzoate
CID 19820326
4-hexoxy-3,5-dimethoxyphenol
CID 10244041

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3,5-dimethoxybenzamide?
The IUPAC name of 4-butoxy-3,5-dimethoxybenzamide (CID 3027029) is 4-butoxy-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-butoxy-3,5-dimethoxybenzamide?
The canonical SMILES for 4-butoxy-3,5-dimethoxybenzamide is CCCCOc1c(OC)cc(C(N)=O)cc1OC.
What is the InChIKey of 4-butoxy-3,5-dimethoxybenzamide?
The InChIKey is APZBGWLAWCGETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-5-6-18-12-10(16-2)7-9(13(14)15)8-11(12)17-3/h7-8H,4-6H2,1-3H3,(H2,14,15).
What are the key properties of 4-butoxy-3,5-dimethoxybenzamide?
4-butoxy-3,5-dimethoxybenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3,5-dimethoxybenzamide is sourced from PubChem (CID 3027029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).