3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide

C24H26N4O4 — CID 11178027

IUPAC3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C24H26N4O4/c1-16(2)31-20-13-18(23(29)25-22-9-12-27(3)26-22)14-21(15-20)32-19-7-5-17(6-8-19)24(30)28-10-4-11-28/h5-9,12-16H,4,10-11H2,1-3H3,(H,25,26,29)
InChIKeyOXNVCIZHPJWTGC-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.10
Rot. Bonds7

About 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide

3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide (PubChem CID 11178027) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide
PubChem CID11178027
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C24H26N4O4/c1-16(2)31-20-13-18(23(29)25-22-9-12-27(3)26-22)14-21(15-20)32-19-7-5-17(6-8-19)24(30)28-10-4-11-28/h5-9,12-16H,4,10-11H2,1-3H3,(H,25,26,29)
InChIKeyOXNVCIZHPJWTGC-UHFFFAOYSA-N
XLogP4.10
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide 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 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide?
The IUPAC name of 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide (CID 11178027) is 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide.
What is the SMILES notation for 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide?
The canonical SMILES for 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide is CC(C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide?
The InChIKey is OXNVCIZHPJWTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16(2)31-20-13-18(23(29)25-22-9-12-27(3)26-22)14-21(15-20)32-19-7-5-17(6-8-19)24(30)28-10-4-11-28/h5-9,12-16H,4,10-11H2,1-3H3,(H,25,26,29).
What are the key properties of 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide?
3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide has a molecular weight of 434.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azetidine-1-carbonyl)phenoxy]-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide is sourced from PubChem (CID 11178027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).