2-propan-2-yloxybenzamide

C10H13NO2 — CID 2728161

IUPAC2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(N)=O
InChIInChI=1S/C10H13NO2/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H2,11,12)
InChIKeyBTHLVVULQLRTBK-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.57
Rot. Bonds3

About 2-propan-2-yloxybenzamide

2-propan-2-yloxybenzamide (PubChem CID 2728161) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-propan-2-yloxybenzamide
PubChem CID2728161
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(N)=O
InChIInChI=1S/C10H13NO2/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H2,11,12)
InChIKeyBTHLVVULQLRTBK-UHFFFAOYSA-N
XLogP1.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxybenzamide?
The IUPAC name of 2-propan-2-yloxybenzamide (CID 2728161) is 2-propan-2-yloxybenzamide.
What is the SMILES notation for 2-propan-2-yloxybenzamide?
The canonical SMILES for 2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(N)=O.
What is the InChIKey of 2-propan-2-yloxybenzamide?
The InChIKey is BTHLVVULQLRTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H2,11,12).
What are the key properties of 2-propan-2-yloxybenzamide?
2-propan-2-yloxybenzamide has a molecular weight of 179.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxybenzamide is sourced from PubChem (CID 2728161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).