2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate

C16H23NO4 — CID 67824310

IUPAC2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate
SMILESCCCCC(CC)COC(=O)c1ccc(O)cc1C(N)=O
InChIInChI=1S/C16H23NO4/c1-3-5-6-11(4-2)10-21-16(20)13-8-7-12(18)9-14(13)15(17)19/h7-9,11,18H,3-6,10H2,1-2H3,(H2,17,19)
InChIKeyLDVLXOIFSVWQBO-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.86
Rot. Bonds8

About 2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate

2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate (PubChem CID 67824310) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate.

Molecular Properties

Compound Name2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate
PubChem CID67824310
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate
SMILESCCCCC(CC)COC(=O)c1ccc(O)cc1C(N)=O
InChIInChI=1S/C16H23NO4/c1-3-5-6-11(4-2)10-21-16(20)13-8-7-12(18)9-14(13)15(17)19/h7-9,11,18H,3-6,10H2,1-2H3,(H2,17,19)
InChIKeyLDVLXOIFSVWQBO-UHFFFAOYSA-N
XLogP2.86
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-O,4-O-bis[(2R)-2-ethylhexyl] 2-O-[(2S)-2-ethylhexyl] benzene-1,2,4-tricarboxylate
CID 42580152
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
2-ethylhexyl 2,3-dihydroxybenzoate
CID 175413950
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
1-O,4-O-dibutyl 2-O-(2-ethylhexyl) benzene-1,2,4-tricarboxylate
CID 175702841
bis(2-ethyldecyl) benzene-1,2-dicarboxylate
CID 18462811
1-O-(2-ethyldecyl) 2-O-(2-ethylundecyl) benzene-1,2-dicarboxylate
CID 44589518
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
4-(2-ethylhexoxycarbonyl)benzene-1,2,3-tricarboxylic acid
CID 141451805
2,3,4-tris(2-ethylhexoxycarbonyl)benzoic acid
CID 141011156
2-ethylhexyl 5-amino-2-bromobenzoate
CID 63446887
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate?
The IUPAC name of 2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate (CID 67824310) is 2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate.
What is the SMILES notation for 2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate?
The canonical SMILES for 2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate is CCCCC(CC)COC(=O)c1ccc(O)cc1C(N)=O.
What is the InChIKey of 2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate?
The InChIKey is LDVLXOIFSVWQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-5-6-11(4-2)10-21-16(20)13-8-7-12(18)9-14(13)15(17)19/h7-9,11,18H,3-6,10H2,1-2H3,(H2,17,19).
What are the key properties of 2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate?
2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate has a molecular weight of 293.36 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-carbamoyl-4-hydroxybenzoate is sourced from PubChem (CID 67824310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).