benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate

C25H25NO5 — CID 3410170

IUPACbenzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
SMILESCCOc1ccccc1NC(=O)c1ccc(OC(C)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-3-29-23-12-8-7-11-22(23)26-24(27)20-13-15-21(16-14-20)31-18(2)25(28)30-17-19-9-5-4-6-10-19/h4-16,18H,3,17H2,1-2H3,(H,26,27)
InChIKeyXKZQRKZVIFOFPW-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.85
Rot. Bonds9

About benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate

benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 3410170) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namebenzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
PubChem CID3410170
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Namebenzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
SMILESCCOc1ccccc1NC(=O)c1ccc(OC(C)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-3-29-23-12-8-7-11-22(23)26-24(27)20-13-15-21(16-14-20)31-18(2)25(28)30-17-19-9-5-4-6-10-19/h4-16,18H,3,17H2,1-2H3,(H,26,27)
InChIKeyXKZQRKZVIFOFPW-UHFFFAOYSA-N
XLogP4.85
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 7695459
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 731943
N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 156704842
N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968671
benzyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4066862
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791422
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4231696
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate (CID 3410170) is benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate is CCOc1ccccc1NC(=O)c1ccc(OC(C)C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is XKZQRKZVIFOFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-3-29-23-12-8-7-11-22(23)26-24(27)20-13-15-21(16-14-20)31-18(2)25(28)30-17-19-9-5-4-6-10-19/h4-16,18H,3,17H2,1-2H3,(H,26,27).
What are the key properties of benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate?
benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 419.48 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 3410170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).