4-propan-2-yloxybenzamide

C10H13NO2 — CID 4952422

IUPAC4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H13NO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H2,11,12)
InChIKeyCFBLSYXKTPNMCD-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.57
Rot. Bonds3

About 4-propan-2-yloxybenzamide

4-propan-2-yloxybenzamide (PubChem CID 4952422) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-propan-2-yloxybenzamide
PubChem CID4952422
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H13NO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H2,11,12)
InChIKeyCFBLSYXKTPNMCD-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 4-propan-2-yloxybenzamide?
The IUPAC name of 4-propan-2-yloxybenzamide (CID 4952422) is 4-propan-2-yloxybenzamide.
What is the SMILES notation for 4-propan-2-yloxybenzamide?
The canonical SMILES for 4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-propan-2-yloxybenzamide?
The InChIKey is CFBLSYXKTPNMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H2,11,12).
What are the key properties of 4-propan-2-yloxybenzamide?
4-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 4-propan-2-yloxybenzamide is sourced from PubChem (CID 4952422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).