2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid

C23H26ClNO5 — CID 59712431

IUPAC2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
SMILESCCCOc1ccc(C(=O)NCc2cccc(CC3(C(=O)O)CCCO3)c2)c(Cl)c1
InChIInChI=1S/C23H26ClNO5/c1-2-10-29-18-7-8-19(20(24)13-18)21(26)25-15-17-6-3-5-16(12-17)14-23(22(27)28)9-4-11-30-23/h3,5-8,12-13H,2,4,9-11,14-15H2,1H3,(H,25,26)(H,27,28)
InChIKeyMDRPLBAZZZGYOS-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.24
Rot. Bonds9

About 2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid

2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid (PubChem CID 59712431) has the molecular formula C23H26ClNO5 and a molecular weight of 431.92 g/mol. Its IUPAC name is 2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
PubChem CID59712431
Molecular FormulaC23H26ClNO5
Molecular Weight431.92 g/mol
Exact Mass431.15
IUPAC Name2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
SMILESCCCOc1ccc(C(=O)NCc2cccc(CC3(C(=O)O)CCCO3)c2)c(Cl)c1
InChIInChI=1S/C23H26ClNO5/c1-2-10-29-18-7-8-19(20(24)13-18)21(26)25-15-17-6-3-5-16(12-17)14-23(22(27)28)9-4-11-30-23/h3,5-8,12-13H,2,4,9-11,14-15H2,1H3,(H,25,26)(H,27,28)
InChIKeyMDRPLBAZZZGYOS-UHFFFAOYSA-N
XLogP4.24
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid with MolForge

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Related Compounds

[2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolan-2-yl] hydrogen carbonate
CID 67957910
2-[[3-[[2-(2-chloro-4-propoxybenzoyl)pyrrol-2-yl]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 91064032
2-[[3-[3-[4-(carboxymethyl)-3-methoxyphenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid
CID 142214637
2-[[3-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-4-methoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 59712357
2-[[3-[3-[(7-acetyl-2,3-dihydro-1-benzofuran-5-yl)oxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid
CID 142214635
2-[[3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropoxy]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712447
2-chloro-4-decoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide
CID 19016387
2-[[4-ethoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712409
2-[[4-ethoxy-3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712327
2-chloro-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide
CID 19014910
2-[[3-[(2R)-3-[4-(2-carboxypropan-2-yl)phenoxy]-2-hydroxypropoxy]phenyl]methyl]oxolane-2-carboxylic acid
CID 69285910
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid (CID 59712431) is 2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid is CCCOc1ccc(C(=O)NCc2cccc(CC3(C(=O)O)CCCO3)c2)c(Cl)c1.
What is the InChIKey of 2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid?
The InChIKey is MDRPLBAZZZGYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO5/c1-2-10-29-18-7-8-19(20(24)13-18)21(26)25-15-17-6-3-5-16(12-17)14-23(22(27)28)9-4-11-30-23/h3,5-8,12-13H,2,4,9-11,14-15H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid?
2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid has a molecular weight of 431.92 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 59712431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).