N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide

C13H15N3O3 — CID 65471706

IUPACN-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide
SMILESCc1cc(C#N)cc(C)c1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H15N3O3/c1-7-4-10(6-14)5-8(2)11(7)19-9(3)12(17)16-13(15)18/h4-5,9H,1-3H3,(H3,15,16,17,18)
InChIKeyALPVNXMTJZZVGV-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.14
Rot. Bonds3

About N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide

N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide (PubChem CID 65471706) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide
PubChem CID65471706
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide
SMILESCc1cc(C#N)cc(C)c1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H15N3O3/c1-7-4-10(6-14)5-8(2)11(7)19-9(3)12(17)16-13(15)18/h4-5,9H,1-3H3,(H3,15,16,17,18)
InChIKeyALPVNXMTJZZVGV-UHFFFAOYSA-N
XLogP1.14
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(4-cyano-2,6-dimethylphenoxy)propanoate
CID 103338073
N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide
CID 107663137
N-butyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide
CID 65471896
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
CID 65472840
N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398
2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide
CID 65471517
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide
CID 63181045
N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide
CID 112612470
N-carbamoyl-2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]propanamide
CID 107741741
(2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide
CID 7696286
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide?
The IUPAC name of N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide (CID 65471706) is N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide.
What is the SMILES notation for N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide?
The canonical SMILES for N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide is Cc1cc(C#N)cc(C)c1OC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide?
The InChIKey is ALPVNXMTJZZVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-4-10(6-14)5-8(2)11(7)19-9(3)12(17)16-13(15)18/h4-5,9H,1-3H3,(H3,15,16,17,18).
What are the key properties of N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide?
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide has a molecular weight of 261.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide is sourced from PubChem (CID 65471706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).