N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide

C12H13N3O3 — CID 107663137

IUPACN-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide
SMILESCc1ccc(C#N)cc1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H13N3O3/c1-7-3-4-9(6-13)5-10(7)18-8(2)11(16)15-12(14)17/h3-5,8H,1-2H3,(H3,14,15,16,17)
InChIKeyIQILIAKLIKNTKP-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.83
Rot. Bonds3

About N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide

N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide (PubChem CID 107663137) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide
PubChem CID107663137
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide
SMILESCc1ccc(C#N)cc1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H13N3O3/c1-7-3-4-9(6-13)5-10(7)18-8(2)11(16)15-12(14)17/h3-5,8H,1-2H3,(H3,14,15,16,17)
InChIKeyIQILIAKLIKNTKP-UHFFFAOYSA-N
XLogP0.83
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide
CID 65471706
2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide
CID 107663138
4-methyl-3-propan-2-yloxybenzonitrile
CID 18424073
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide
CID 63181045
3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxy-4-methylbenzonitrile
CID 107659292
N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide
CID 104848768
3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile
CID 107658257
N-carbamoyl-2-(2,5-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913324
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide
CID 9384048
2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112203

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide?
The IUPAC name of N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide (CID 107663137) is N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide.
What is the SMILES notation for N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide?
The canonical SMILES for N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide is Cc1ccc(C#N)cc1OC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide?
The InChIKey is IQILIAKLIKNTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-3-4-9(6-13)5-10(7)18-8(2)11(16)15-12(14)17/h3-5,8H,1-2H3,(H3,14,15,16,17).
What are the key properties of N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide?
N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide has a molecular weight of 247.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide is sourced from PubChem (CID 107663137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).