2-cyano-4-propan-2-yloxybenzamide

C11H12N2O2 — CID 67277993

IUPAC2-cyano-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)c(C#N)c1
InChIInChI=1S/C11H12N2O2/c1-7(2)15-9-3-4-10(11(13)14)8(5-9)6-12/h3-5,7H,1-2H3,(H2,13,14)
InChIKeyOMFQKPVJHNWVLO-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.44
Rot. Bonds3

About 2-cyano-4-propan-2-yloxybenzamide

2-cyano-4-propan-2-yloxybenzamide (PubChem CID 67277993) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-cyano-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-cyano-4-propan-2-yloxybenzamide
PubChem CID67277993
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-cyano-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)c(C#N)c1
InChIInChI=1S/C11H12N2O2/c1-7(2)15-9-3-4-10(11(13)14)8(5-9)6-12/h3-5,7H,1-2H3,(H2,13,14)
InChIKeyOMFQKPVJHNWVLO-UHFFFAOYSA-N
XLogP1.44
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 172970790
5-(1-amino-1-oxopropan-2-yl)oxy-3-cyano-2-methylbenzamide
CID 70807830
2-bromo-4-propan-2-yloxybenzonitrile
CID 104573950
4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide
CID 115499856
2-(piperidine-1-carbonyl)-5-propan-2-yloxybenzamide
CID 68835377
2-cyclopropyl-4-propan-2-yloxybenzonitrile
CID 176886654
2-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
4-amino-2-propan-2-yloxybenzamide
CID 53495725
3-cyano-2-(2-hydroxyethyl)-4-propan-2-yloxybenzamide
CID 142790563
2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210
2-(2-bromoacetyl)-5-methoxybenzonitrile
CID 130066531
(3-cyano-4-propan-2-yloxyphenoxy)boronic acid
CID 142790559

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-propan-2-yloxybenzamide?
The IUPAC name of 2-cyano-4-propan-2-yloxybenzamide (CID 67277993) is 2-cyano-4-propan-2-yloxybenzamide.
What is the SMILES notation for 2-cyano-4-propan-2-yloxybenzamide?
The canonical SMILES for 2-cyano-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(N)=O)c(C#N)c1.
What is the InChIKey of 2-cyano-4-propan-2-yloxybenzamide?
The InChIKey is OMFQKPVJHNWVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)15-9-3-4-10(11(13)14)8(5-9)6-12/h3-5,7H,1-2H3,(H2,13,14).
What are the key properties of 2-cyano-4-propan-2-yloxybenzamide?
2-cyano-4-propan-2-yloxybenzamide has a molecular weight of 204.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-propan-2-yloxybenzamide is sourced from PubChem (CID 67277993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).