2-(3-methylbutoxy)benzamide

C12H17NO2 — CID 690668

IUPAC2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccccc1C(N)=O
InChIInChI=1S/C12H17NO2/c1-9(2)7-8-15-11-6-4-3-5-10(11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H2,13,14)
InChIKeyCFCVITLVUYPRQC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.21
Rot. Bonds5

About 2-(3-methylbutoxy)benzamide

2-(3-methylbutoxy)benzamide (PubChem CID 690668) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)benzamide
PubChem CID690668
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccccc1C(N)=O
InChIInChI=1S/C12H17NO2/c1-9(2)7-8-15-11-6-4-3-5-10(11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H2,13,14)
InChIKeyCFCVITLVUYPRQC-UHFFFAOYSA-N
XLogP2.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)benzamide?
The IUPAC name of 2-(3-methylbutoxy)benzamide (CID 690668) is 2-(3-methylbutoxy)benzamide.
What is the SMILES notation for 2-(3-methylbutoxy)benzamide?
The canonical SMILES for 2-(3-methylbutoxy)benzamide is CC(C)CCOc1ccccc1C(N)=O.
What is the InChIKey of 2-(3-methylbutoxy)benzamide?
The InChIKey is CFCVITLVUYPRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)7-8-15-11-6-4-3-5-10(11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H2,13,14).
What are the key properties of 2-(3-methylbutoxy)benzamide?
2-(3-methylbutoxy)benzamide has a molecular weight of 207.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 690668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).