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

C23H29NO4 — CID 3543070

IUPACpropyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCCOC(=O)C(C)Oc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C23H29NO4/c1-5-15-27-23(26)16(4)28-20-13-11-19(12-14-20)22(25)24-21-17(6-2)9-8-10-18(21)7-3/h8-14,16H,5-7,15H2,1-4H3,(H,24,25)
InChIKeyXGTRQMRSQWJANT-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.78
Rot. Bonds9

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

propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 3543070) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namepropyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
PubChem CID3543070
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namepropyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCCOC(=O)C(C)Oc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C23H29NO4/c1-5-15-27-23(26)16(4)28-20-13-11-19(12-14-20)22(25)24-21-17(6-2)9-8-10-18(21)7-3/h8-14,16H,5-7,15H2,1-4H3,(H,24,25)
InChIKeyXGTRQMRSQWJANT-UHFFFAOYSA-N
XLogP4.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543069
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096
pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229182
1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043170
propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 5065242
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4231696
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-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate
CID 5084761
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 731943

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate (CID 3543070) is propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate is CCCOC(=O)C(C)Oc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1.
What is the InChIKey of propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is XGTRQMRSQWJANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-5-15-27-23(26)16(4)28-20-13-11-19(12-14-20)22(25)24-21-17(6-2)9-8-10-18(21)7-3/h8-14,16H,5-7,15H2,1-4H3,(H,24,25).
What are the key properties of propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate?
propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 383.49 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 3543070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).