4-butoxy-3-methoxybenzamide

C12H17NO3 — CID 47102628

IUPAC4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(N)=O)cc1OC
InChIInChI=1S/C12H17NO3/c1-3-4-7-16-10-6-5-9(12(13)14)8-11(10)15-2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyLXKGTUSZSYZDJE-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.97
Rot. Bonds6

About 4-butoxy-3-methoxybenzamide

4-butoxy-3-methoxybenzamide (PubChem CID 47102628) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-butoxy-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxybenzamide
PubChem CID47102628
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(N)=O)cc1OC
InChIInChI=1S/C12H17NO3/c1-3-4-7-16-10-6-5-9(12(13)14)8-11(10)15-2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyLXKGTUSZSYZDJE-UHFFFAOYSA-N
XLogP1.97
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxybenzamide?
The IUPAC name of 4-butoxy-3-methoxybenzamide (CID 47102628) is 4-butoxy-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-3-methoxybenzamide is CCCCOc1ccc(C(N)=O)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxybenzamide?
The InChIKey is LXKGTUSZSYZDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-4-7-16-10-6-5-9(12(13)14)8-11(10)15-2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14).
What are the key properties of 4-butoxy-3-methoxybenzamide?
4-butoxy-3-methoxybenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxybenzamide is sourced from PubChem (CID 47102628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).