2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid

C24H29NO7 — CID 59712370

IUPAC2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid
SMILESCCCOc1ccc(C(=O)NCc2cc(CC3(C(=O)O)OCCO3)ccc2OCC)cc1
InChIInChI=1S/C24H29NO7/c1-3-11-30-20-8-6-18(7-9-20)22(26)25-16-19-14-17(5-10-21(19)29-4-2)15-24(23(27)28)31-12-13-32-24/h5-10,14H,3-4,11-13,15-16H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyMCAUILPRHYPNKU-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.17
Rot. Bonds11

About 2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid

2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid (PubChem CID 59712370) has the molecular formula C24H29NO7 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid
PubChem CID59712370
Molecular FormulaC24H29NO7
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Name2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid
SMILESCCCOc1ccc(C(=O)NCc2cc(CC3(C(=O)O)OCCO3)ccc2OCC)cc1
InChIInChI=1S/C24H29NO7/c1-3-11-30-20-8-6-18(7-9-20)22(26)25-16-19-14-17(5-10-21(19)29-4-2)15-24(23(27)28)31-12-13-32-24/h5-10,14H,3-4,11-13,15-16H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyMCAUILPRHYPNKU-UHFFFAOYSA-N
XLogP3.17
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-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-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolan-2-yl] hydrogen carbonate
CID 67957910
2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 59712325
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate
CID 29191315
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
2-[[4-ethoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712409
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide
CID 61021408
(2R)-2-[[3-[[[4-(1-adamantyl)benzoyl]amino]methyl]-4-ethoxyphenyl]methyl]butanoic acid
CID 102478777

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid?
The IUPAC name of 2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid (CID 59712370) is 2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid.
What is the SMILES notation for 2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid?
The canonical SMILES for 2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid is CCCOc1ccc(C(=O)NCc2cc(CC3(C(=O)O)OCCO3)ccc2OCC)cc1.
What is the InChIKey of 2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid?
The InChIKey is MCAUILPRHYPNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO7/c1-3-11-30-20-8-6-18(7-9-20)22(26)25-16-19-14-17(5-10-21(19)29-4-2)15-24(23(27)28)31-12-13-32-24/h5-10,14H,3-4,11-13,15-16H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid?
2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid has a molecular weight of 443.50 g/mol, XLogP of 3.17, 11 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-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid is sourced from PubChem (CID 59712370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).