4-(1-cyanopropan-2-yloxy)benzamide

C11H12N2O2 — CID 114995162

IUPAC4-(1-cyanopropan-2-yloxy)benzamide
SMILESCC(CC#N)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H12N2O2/c1-8(6-7-12)15-10-4-2-9(3-5-10)11(13)14/h2-5,8H,6H2,1H3,(H2,13,14)
InChIKeyYERPXEPSXLVXJQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.47
Rot. Bonds4

About 4-(1-cyanopropan-2-yloxy)benzamide

4-(1-cyanopropan-2-yloxy)benzamide (PubChem CID 114995162) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(1-cyanopropan-2-yloxy)benzamide.

Molecular Properties

Compound Name4-(1-cyanopropan-2-yloxy)benzamide
PubChem CID114995162
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(1-cyanopropan-2-yloxy)benzamide
SMILESCC(CC#N)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H12N2O2/c1-8(6-7-12)15-10-4-2-9(3-5-10)11(13)14/h2-5,8H,6H2,1H3,(H2,13,14)
InChIKeyYERPXEPSXLVXJQ-UHFFFAOYSA-N
XLogP1.47
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)phenoxy]butanenitrile
CID 106485040
potassium;1-[(2R)-1-bromopropan-2-yl]oxy-4-fluorobenzene;(3R)-3-(4-fluorophenoxy)butanenitrile;cyanide
CID 159571431
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
4-(2-sulfanylpropoxy)benzamide
CID 137429548
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-butan-2-yloxybenzoic acid
CID 5132695
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
ethyl 4-(1-cyanoethoxy)benzoate
CID 60644267
4-[2-(bromomethyl)-3-methylbutoxy]benzamide
CID 65011599
4-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]oxybenzamide
CID 8946463
N-cyano-4-propan-2-yloxybenzamide
CID 54281235
4-(1-hydroxyundecoxy)benzamide
CID 67763427

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanopropan-2-yloxy)benzamide?
The IUPAC name of 4-(1-cyanopropan-2-yloxy)benzamide (CID 114995162) is 4-(1-cyanopropan-2-yloxy)benzamide.
What is the SMILES notation for 4-(1-cyanopropan-2-yloxy)benzamide?
The canonical SMILES for 4-(1-cyanopropan-2-yloxy)benzamide is CC(CC#N)Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(1-cyanopropan-2-yloxy)benzamide?
The InChIKey is YERPXEPSXLVXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(6-7-12)15-10-4-2-9(3-5-10)11(13)14/h2-5,8H,6H2,1H3,(H2,13,14).
What are the key properties of 4-(1-cyanopropan-2-yloxy)benzamide?
4-(1-cyanopropan-2-yloxy)benzamide has a molecular weight of 204.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanopropan-2-yloxy)benzamide is sourced from PubChem (CID 114995162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).