2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid

C24H29NO7 — CID 59712325

IUPAC2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
SMILESCCOc1ccc(CC2(C(=O)O)CCCO2)cc1CNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C24H29NO7/c1-4-31-20-9-6-16(14-24(23(27)28)10-5-11-32-24)12-17(20)15-25-22(26)19-8-7-18(29-2)13-21(19)30-3/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyPDAPYIWTDYJRGK-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.21
Rot. Bonds10

About 2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid

2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid (PubChem CID 59712325) has the molecular formula C24H29NO7 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
PubChem CID59712325
Molecular FormulaC24H29NO7
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Name2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
SMILESCCOc1ccc(CC2(C(=O)O)CCCO2)cc1CNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C24H29NO7/c1-4-31-20-9-6-16(14-24(23(27)28)10-5-11-32-24)12-17(20)15-25-22(26)19-8-7-18(29-2)13-21(19)30-3/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyPDAPYIWTDYJRGK-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid with MolForge

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Related Compounds

2-[[4-ethoxy-3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712327
2-[[3-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-4-methoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 59712357
2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712310
2-[[4-methoxy-3-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712483
2-[[3-[[2-(2-chloro-4-propoxybenzoyl)pyrrol-2-yl]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 91064032
2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712431
5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid
CID 59712399
2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid
CID 59712370
5-[[3-[[(2-chloro-4-methoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid
CID 59712312
2-[[3-[(2,4-difluorophenyl)carbamoyloxymethyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 59712434
2-[[3-[3-[4-(carboxymethyl)-3-methoxyphenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid
CID 142214637
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid (CID 59712325) is 2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid is CCOc1ccc(CC2(C(=O)O)CCCO2)cc1CNC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of 2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid?
The InChIKey is PDAPYIWTDYJRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO7/c1-4-31-20-9-6-16(14-24(23(27)28)10-5-11-32-24)12-17(20)15-25-22(26)19-8-7-18(29-2)13-21(19)30-3/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid?
2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid has a molecular weight of 443.50 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 59712325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).