3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one

C26H27IN2O2 — CID 18425150

IUPAC3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one
SMILESCC(C)COC1NC(=O)C1NC(c1ccccc1)(c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C26H27IN2O2/c1-18(2)17-31-25-23(24(30)28-25)29-26(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(27)16-14-21/h3-16,18,23,25,29H,17H2,1-2H3,(H,28,30)
InChIKeyIASPUGDZGDMURL-UHFFFAOYSA-N
MW526.42 g/mol
LogP4.67
Rot. Bonds8

About 3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one

3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one (PubChem CID 18425150) has the molecular formula C26H27IN2O2 and a molecular weight of 526.42 g/mol. Its IUPAC name is 3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one.

Molecular Properties

Compound Name3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one
PubChem CID18425150
Molecular FormulaC26H27IN2O2
Molecular Weight526.42 g/mol
Exact Mass526.11
IUPAC Name3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one
SMILESCC(C)COC1NC(=O)C1NC(c1ccccc1)(c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C26H27IN2O2/c1-18(2)17-31-25-23(24(30)28-25)29-26(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(27)16-14-21/h3-16,18,23,25,29H,17H2,1-2H3,(H,28,30)
InChIKeyIASPUGDZGDMURL-UHFFFAOYSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one?
The IUPAC name of 3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one (CID 18425150) is 3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one.
What is the SMILES notation for 3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one?
The canonical SMILES for 3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one is CC(C)COC1NC(=O)C1NC(c1ccccc1)(c1ccccc1)c1ccc(I)cc1.
What is the InChIKey of 3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one?
The InChIKey is IASPUGDZGDMURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27IN2O2/c1-18(2)17-31-25-23(24(30)28-25)29-26(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(27)16-14-21/h3-16,18,23,25,29H,17H2,1-2H3,(H,28,30).
What are the key properties of 3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one?
3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one has a molecular weight of 526.42 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-iodophenyl)-diphenylmethyl]amino]-4-(2-methylpropoxy)azetidin-2-one is sourced from PubChem (CID 18425150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).