2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid

C14H19NO4 — CID 65453721

IUPAC2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid
SMILESCc1cc(C(N)=O)cc(C)c1OC(C(=O)O)C(C)C
InChIInChI=1S/C14H19NO4/c1-7(2)11(14(17)18)19-12-8(3)5-10(13(15)16)6-9(12)4/h5-7,11H,1-4H3,(H2,15,16)(H,17,18)
InChIKeyHNZHWVPPMVORNV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.89
Rot. Bonds5

About 2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid

2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid (PubChem CID 65453721) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid
PubChem CID65453721
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid
SMILESCc1cc(C(N)=O)cc(C)c1OC(C(=O)O)C(C)C
InChIInChI=1S/C14H19NO4/c1-7(2)11(14(17)18)19-12-8(3)5-10(13(15)16)6-9(12)4/h5-7,11H,1-4H3,(H2,15,16)(H,17,18)
InChIKeyHNZHWVPPMVORNV-UHFFFAOYSA-N
XLogP1.89
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid
CID 65454291
(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-methylpropanoic acid
CID 25418834
2-(2-carbamoylphenoxy)-3-methylbutanoic acid
CID 18073009
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
methyl 2-(4-carbamothioyl-2,6-dimethylphenoxy)propanoate
CID 65472479
2-(5-bromo-2-methylphenoxy)-3-methylbutanoic acid
CID 107283135
6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 65454117
4-(4-carboxy-2,6-dimethylphenoxy)-3,5-dimethylbenzoic acid
CID 139991127
(2R)-2-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]propanoic acid
CID 97234306
4-(3-aminophenoxy)-3,5-dimethylbenzamide
CID 80751978
4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide
CID 65471375
2-(4-bromo-2,3-dimethylphenoxy)-3-methylbutanoic acid
CID 20992200

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid?
The IUPAC name of 2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid (CID 65453721) is 2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid.
What is the SMILES notation for 2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid?
The canonical SMILES for 2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid is Cc1cc(C(N)=O)cc(C)c1OC(C(=O)O)C(C)C.
What is the InChIKey of 2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid?
The InChIKey is HNZHWVPPMVORNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-7(2)11(14(17)18)19-12-8(3)5-10(13(15)16)6-9(12)4/h5-7,11H,1-4H3,(H2,15,16)(H,17,18).
What are the key properties of 2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid?
2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid is sourced from PubChem (CID 65453721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).