2-(3-carbamoyl-2-pentylphenoxy)acetic acid

C14H19NO4 — CID 174675490

IUPAC2-(3-carbamoyl-2-pentylphenoxy)acetic acid
SMILESCCCCCc1c(OCC(=O)O)cccc1C(N)=O
InChIInChI=1S/C14H19NO4/c1-2-3-4-6-10-11(14(15)18)7-5-8-12(10)19-9-13(16)17/h5,7-8H,2-4,6,9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyFEUFNSHDVNUXOZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.98
Rot. Bonds8

About 2-(3-carbamoyl-2-pentylphenoxy)acetic acid

2-(3-carbamoyl-2-pentylphenoxy)acetic acid (PubChem CID 174675490) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3-carbamoyl-2-pentylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-carbamoyl-2-pentylphenoxy)acetic acid
PubChem CID174675490
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(3-carbamoyl-2-pentylphenoxy)acetic acid
SMILESCCCCCc1c(OCC(=O)O)cccc1C(N)=O
InChIInChI=1S/C14H19NO4/c1-2-3-4-6-10-11(14(15)18)7-5-8-12(10)19-9-13(16)17/h5,7-8H,2-4,6,9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyFEUFNSHDVNUXOZ-UHFFFAOYSA-N
XLogP1.98
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-pentoxybenzamide
CID 67228177
2-(2-dodecylphenoxy)acetic acid
CID 572415
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzene-1,3-dicarboxamide
CID 175126140
2-dodecyl-3-nitrobenzamide
CID 151255617
2,3-dihexyl-4-methylbenzamide
CID 154326325
3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid
CID 134644738
10-[2-(9-carboxynonyl)-3-hexoxyphenyl]decanoic acid
CID 151006342
dipentyl 2-pentylbenzene-1,3-dicarboxylate
CID 175289012
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
2-carbamoyl-6-octadecylbenzoic acid
CID 69046892
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoyl-2-pentylphenoxy)acetic acid?
The IUPAC name of 2-(3-carbamoyl-2-pentylphenoxy)acetic acid (CID 174675490) is 2-(3-carbamoyl-2-pentylphenoxy)acetic acid.
What is the SMILES notation for 2-(3-carbamoyl-2-pentylphenoxy)acetic acid?
The canonical SMILES for 2-(3-carbamoyl-2-pentylphenoxy)acetic acid is CCCCCc1c(OCC(=O)O)cccc1C(N)=O.
What is the InChIKey of 2-(3-carbamoyl-2-pentylphenoxy)acetic acid?
The InChIKey is FEUFNSHDVNUXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-3-4-6-10-11(14(15)18)7-5-8-12(10)19-9-13(16)17/h5,7-8H,2-4,6,9H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 2-(3-carbamoyl-2-pentylphenoxy)acetic acid?
2-(3-carbamoyl-2-pentylphenoxy)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoyl-2-pentylphenoxy)acetic acid is sourced from PubChem (CID 174675490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).