ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate

C22H27NO4 — CID 3543069

IUPACethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C22H27NO4/c1-5-16-9-8-10-17(6-2)20(16)23-21(24)18-11-13-19(14-12-18)27-15(4)22(25)26-7-3/h8-15H,5-7H2,1-4H3,(H,23,24)
InChIKeyHXTJTVSQGNHAHR-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.39
Rot. Bonds8

About ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate

ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 3543069) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
PubChem CID3543069
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Nameethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C22H27NO4/c1-5-16-9-8-10-17(6-2)20(16)23-21(24)18-11-13-19(14-12-18)27-15(4)22(25)26-7-3/h8-15H,5-7H2,1-4H3,(H,23,24)
InChIKeyHXTJTVSQGNHAHR-UHFFFAOYSA-N
XLogP4.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543070
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096
1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043170
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 731943
pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229182
N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179504
4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4055432
(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4231696
CID 59993707
CID 59993707
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
(2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate
CID 5084761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate (CID 3543069) is ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1.
What is the InChIKey of ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is HXTJTVSQGNHAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-16-9-8-10-17(6-2)20(16)23-21(24)18-11-13-19(14-12-18)27-15(4)22(25)26-7-3/h8-15H,5-7H2,1-4H3,(H,23,24).
What are the key properties of ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate?
ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 369.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 3543069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).