[5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate

C24H26N2O5 — CID 144735087

IUPAC[5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate
SMILESCC(C)=CN(C(=O)NC=O)C1CCC(COC(=O)c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C24H26N2O5/c1-17(2)14-26(24(29)25-16-27)22-13-12-21(31-22)15-30-23(28)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,14,16,21-22H,12-13,15H2,1-2H3,(H,25,27,29)
InChIKeyAOKRULVMEPGCJP-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.11
Rot. Bonds7

About [5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate

[5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate (PubChem CID 144735087) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is [5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate.

Molecular Properties

Compound Name[5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate
PubChem CID144735087
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name[5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate
SMILESCC(C)=CN(C(=O)NC=O)C1CCC(COC(=O)c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C24H26N2O5/c1-17(2)14-26(24(29)25-16-27)22-13-12-21(31-22)15-30-23(28)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,14,16,21-22H,12-13,15H2,1-2H3,(H,25,27,29)
InChIKeyAOKRULVMEPGCJP-UHFFFAOYSA-N
XLogP4.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate?
The IUPAC name of [5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate (CID 144735087) is [5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate.
What is the SMILES notation for [5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate?
The canonical SMILES for [5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate is CC(C)=CN(C(=O)NC=O)C1CCC(COC(=O)c2ccc(-c3ccccc3)cc2)O1.
What is the InChIKey of [5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate?
The InChIKey is AOKRULVMEPGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-17(2)14-26(24(29)25-16-27)22-13-12-21(31-22)15-30-23(28)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,14,16,21-22H,12-13,15H2,1-2H3,(H,25,27,29).
What are the key properties of [5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate?
[5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate has a molecular weight of 422.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[formylcarbamoyl(2-methylprop-1-enyl)amino]oxolan-2-yl]methyl 4-phenylbenzoate is sourced from PubChem (CID 144735087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).