2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid

C24H29NO7 — CID 59712310

IUPAC2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)OCc2cc(CC3(C(=O)O)CCCO3)ccc2OCC)cc1
InChIInChI=1S/C24H29NO7/c1-3-29-20-9-7-19(8-10-20)25-23(28)31-16-18-14-17(6-11-21(18)30-4-2)15-24(22(26)27)12-5-13-32-24/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyUWMFPMDKGXSUCD-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.41
Rot. Bonds10

About 2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid

2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid (PubChem CID 59712310) has the molecular formula C24H29NO7 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid
PubChem CID59712310
Molecular FormulaC24H29NO7
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Name2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)OCc2cc(CC3(C(=O)O)CCCO3)ccc2OCC)cc1
InChIInChI=1S/C24H29NO7/c1-3-29-20-9-7-19(8-10-20)25-23(28)31-16-18-14-17(6-11-21(18)30-4-2)15-24(22(26)27)12-5-13-32-24/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyUWMFPMDKGXSUCD-UHFFFAOYSA-N
XLogP4.41
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[(2,4-difluorophenyl)carbamoyloxymethyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 59712434
2-[[4-ethoxy-3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712327
2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 59712325
2-[[4-ethoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712409
2-[[3-[[2-(2-chloro-4-propoxybenzoyl)pyrrol-2-yl]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 91064032
methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate
CID 59712509
(4-ethoxyphenyl)carbamoyl hydrogen carbonate
CID 23180192
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
[2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolan-2-yl] hydrogen carbonate
CID 67957910
2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid
CID 59712370
(2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid
CID 164606521
3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid (CID 59712310) is 2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid is CCOc1ccc(NC(=O)OCc2cc(CC3(C(=O)O)CCCO3)ccc2OCC)cc1.
What is the InChIKey of 2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid?
The InChIKey is UWMFPMDKGXSUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO7/c1-3-29-20-9-7-19(8-10-20)25-23(28)31-16-18-14-17(6-11-21(18)30-4-2)15-24(22(26)27)12-5-13-32-24/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid?
2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid has a molecular weight of 443.50 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 59712310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).