dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate

C24H30FNO5 — CID 135382362

IUPACdipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate
SMILESCOc1ccc(N(c2cc(C)c(F)c(C)c2)C(C(=O)OC(C)C)C(=O)OC(C)C)cc1
InChIInChI=1S/C24H30FNO5/c1-14(2)30-23(27)22(24(28)31-15(3)4)26(18-8-10-20(29-7)11-9-18)19-12-16(5)21(25)17(6)13-19/h8-15,22H,1-7H3
InChIKeyZKOBRICCWYGZKI-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.86
Rot. Bonds8

About dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate

dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate (PubChem CID 135382362) has the molecular formula C24H30FNO5 and a molecular weight of 431.50 g/mol. Its IUPAC name is dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate
PubChem CID135382362
Molecular FormulaC24H30FNO5
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Namedipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate
SMILESCOc1ccc(N(c2cc(C)c(F)c(C)c2)C(C(=O)OC(C)C)C(=O)OC(C)C)cc1
InChIInChI=1S/C24H30FNO5/c1-14(2)30-23(27)22(24(28)31-15(3)4)26(18-8-10-20(29-7)11-9-18)19-12-16(5)21(25)17(6)13-19/h8-15,22H,1-7H3
InChIKeyZKOBRICCWYGZKI-UHFFFAOYSA-N
XLogP4.86
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate?
The IUPAC name of dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate (CID 135382362) is dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate.
What is the SMILES notation for dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate?
The canonical SMILES for dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate is COc1ccc(N(c2cc(C)c(F)c(C)c2)C(C(=O)OC(C)C)C(=O)OC(C)C)cc1.
What is the InChIKey of dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate?
The InChIKey is ZKOBRICCWYGZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO5/c1-14(2)30-23(27)22(24(28)31-15(3)4)26(18-8-10-20(29-7)11-9-18)19-12-16(5)21(25)17(6)13-19/h8-15,22H,1-7H3.
What are the key properties of dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate?
dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate has a molecular weight of 431.50 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-(N-(4-fluoro-3,5-dimethylphenyl)-4-methoxyanilino)propanedioate is sourced from PubChem (CID 135382362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).