4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid

C14H19NO4 — CID 65454291

IUPAC4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid
SMILESCc1cc(C(N)=O)cc(C)c1OC(C)CCC(=O)O
InChIInChI=1S/C14H19NO4/c1-8-6-11(14(15)18)7-9(2)13(8)19-10(3)4-5-12(16)17/h6-7,10H,4-5H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeySLDFROAVXZVBID-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.03
Rot. Bonds6

About 4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid

4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid (PubChem CID 65454291) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid.

Molecular Properties

Compound Name4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid
PubChem CID65454291
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid
SMILESCc1cc(C(N)=O)cc(C)c1OC(C)CCC(=O)O
InChIInChI=1S/C14H19NO4/c1-8-6-11(14(15)18)7-9(2)13(8)19-10(3)4-5-12(16)17/h6-7,10H,4-5H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeySLDFROAVXZVBID-UHFFFAOYSA-N
XLogP2.03
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carbamoyl-2,6-dimethylphenoxy)-3-methylbutanoic acid
CID 65453721
4-(4-bromo-3,5-dimethylphenoxy)pentanoic acid
CID 107722381
4-(4-methylphenoxy)pentanoic acid
CID 62214144
4-(3-acetylphenoxy)pentanoic acid
CID 62213253
4-(2,4-dibromophenoxy)pentanoic acid
CID 62214514
3-(2,4,6-trimethylphenoxy)butan-1-ol
CID 82077707
(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-methylpropanoic acid
CID 25418834
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide
CID 65471375
4-(3-chloro-4-cyanophenoxy)pentanoic acid
CID 102723946
4-(3,3-dimethyl-2-oxobutoxy)-3,5-dimethylbenzamide
CID 65471566

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid?
The IUPAC name of 4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid (CID 65454291) is 4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid.
What is the SMILES notation for 4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid?
The canonical SMILES for 4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid is Cc1cc(C(N)=O)cc(C)c1OC(C)CCC(=O)O.
What is the InChIKey of 4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid?
The InChIKey is SLDFROAVXZVBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-6-11(14(15)18)7-9(2)13(8)19-10(3)4-5-12(16)17/h6-7,10H,4-5H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid?
4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoyl-2,6-dimethylphenoxy)pentanoic acid is sourced from PubChem (CID 65454291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).