2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid

C18H25NO6 — CID 119214727

IUPAC2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
SMILESCCOc1ccc(C(=O)NC2(CC(=O)O)CCOCC2)cc1OCC
InChIInChI=1S/C18H25NO6/c1-3-24-14-6-5-13(11-15(14)25-4-2)17(22)19-18(12-16(20)21)7-9-23-10-8-18/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyWZSPNNIWKGIVQF-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.24
Rot. Bonds8

About 2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid

2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid (PubChem CID 119214727) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
PubChem CID119214727
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
SMILESCCOc1ccc(C(=O)NC2(CC(=O)O)CCOCC2)cc1OCC
InChIInChI=1S/C18H25NO6/c1-3-24-14-6-5-13(11-15(14)25-4-2)17(22)19-18(12-16(20)21)7-9-23-10-8-18/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyWZSPNNIWKGIVQF-UHFFFAOYSA-N
XLogP2.24
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119215445
2-[4-(1,3-benzodioxole-5-carbonylamino)oxan-4-yl]acetic acid
CID 119215665
2-[4-[3-(2-ethoxyphenyl)propanoylamino]oxan-4-yl]acetic acid
CID 75429127
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid
CID 119214636
2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215386
N-[4-(bromomethyl)oxan-4-yl]-4-ethoxybenzamide
CID 106300875
2-[4-[(3-nitrobenzoyl)amino]oxan-4-yl]acetic acid
CID 119214767
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid (CID 119214727) is 2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid is CCOc1ccc(C(=O)NC2(CC(=O)O)CCOCC2)cc1OCC.
What is the InChIKey of 2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid?
The InChIKey is WZSPNNIWKGIVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-3-24-14-6-5-13(11-15(14)25-4-2)17(22)19-18(12-16(20)21)7-9-23-10-8-18/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid?
2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid has a molecular weight of 351.40 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).