benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate

C23H24N2O6 — CID 5278767

IUPACbenzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate
SMILESCOC(=O)CNC(=O)C(Cc1ccccc1)N1C(=O)CC1C(=O)OCc1ccccc1
InChIInChI=1S/C23H24N2O6/c1-30-21(27)14-24-22(28)18(12-16-8-4-2-5-9-16)25-19(13-20(25)26)23(29)31-15-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,24,28)
InChIKeyUWQCCOWJTLJDBJ-UHFFFAOYSA-N
MW424.45 g/mol
LogP1.23
Rot. Bonds9

About benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate

benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate (PubChem CID 5278767) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate
PubChem CID5278767
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Namebenzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate
SMILESCOC(=O)CNC(=O)C(Cc1ccccc1)N1C(=O)CC1C(=O)OCc1ccccc1
InChIInChI=1S/C23H24N2O6/c1-30-21(27)14-24-22(28)18(12-16-8-4-2-5-9-16)25-19(13-20(25)26)23(29)31-15-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,24,28)
InChIKeyUWQCCOWJTLJDBJ-UHFFFAOYSA-N
XLogP1.23
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate 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 benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate?
The IUPAC name of benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate (CID 5278767) is benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate?
The canonical SMILES for benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate is COC(=O)CNC(=O)C(Cc1ccccc1)N1C(=O)CC1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate?
The InChIKey is UWQCCOWJTLJDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-30-21(27)14-24-22(28)18(12-16-8-4-2-5-9-16)25-19(13-20(25)26)23(29)31-15-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,24,28).
What are the key properties of benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate?
benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate has a molecular weight of 424.45 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 5278767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).