N-cyano-4-propan-2-yloxybenzamide

C11H12N2O2 — CID 54281235

IUPACN-cyano-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC#N)cc1
InChIInChI=1S/C11H12N2O2/c1-8(2)15-10-5-3-9(4-6-10)11(14)13-7-12/h3-6,8H,1-2H3,(H,13,14)
InChIKeyRQXRJMRRNWHBFX-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.68
Rot. Bonds3

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

N-cyano-4-propan-2-yloxybenzamide (PubChem CID 54281235) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-cyano-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-cyano-4-propan-2-yloxybenzamide
PubChem CID54281235
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-cyano-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC#N)cc1
InChIInChI=1S/C11H12N2O2/c1-8(2)15-10-5-3-9(4-6-10)11(14)13-7-12/h3-6,8H,1-2H3,(H,13,14)
InChIKeyRQXRJMRRNWHBFX-UHFFFAOYSA-N
XLogP1.68
TPSA62.12 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
2-cyano-3,3-bis(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 70669576
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide
CID 79676602
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210

Frequently Asked Questions

What is the IUPAC name of N-cyano-4-propan-2-yloxybenzamide?
The IUPAC name of N-cyano-4-propan-2-yloxybenzamide (CID 54281235) is N-cyano-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-cyano-4-propan-2-yloxybenzamide?
The canonical SMILES for N-cyano-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC#N)cc1.
What is the InChIKey of N-cyano-4-propan-2-yloxybenzamide?
The InChIKey is RQXRJMRRNWHBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(2)15-10-5-3-9(4-6-10)11(14)13-7-12/h3-6,8H,1-2H3,(H,13,14).
What are the key properties of N-cyano-4-propan-2-yloxybenzamide?
N-cyano-4-propan-2-yloxybenzamide has a molecular weight of 204.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-4-propan-2-yloxybenzamide is sourced from PubChem (CID 54281235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).