N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide

C23H27N3O3 — CID 10430684

IUPACN-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide
SMILESCCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1O/N=C(\C)c1ccccc1
InChIInChI=1S/C23H27N3O3/c1-4-23(5-2)20(27)26(22(28)24-16-18-12-8-6-9-13-18)21(23)29-25-17(3)19-14-10-7-11-15-19/h6-15,21H,4-5,16H2,1-3H3,(H,24,28)/b25-17+
InChIKeyXKKFZVYZYDZWEN-KOEQRZSOSA-N
MW393.49 g/mol
LogP4.31
Rot. Bonds7

About N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide

N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide (PubChem CID 10430684) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide
PubChem CID10430684
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide
SMILESCCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1O/N=C(\C)c1ccccc1
InChIInChI=1S/C23H27N3O3/c1-4-23(5-2)20(27)26(22(28)24-16-18-12-8-6-9-13-18)21(23)29-25-17(3)19-14-10-7-11-15-19/h6-15,21H,4-5,16H2,1-3H3,(H,24,28)/b25-17+
InChIKeyXKKFZVYZYDZWEN-KOEQRZSOSA-N
XLogP4.31
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate
CID 10458654
tert-butyl 4-[(2S,3R)-3-benzyl-1-(benzylcarbamoyl)-3-ethyl-4-oxoazetidin-2-yl]oxybenzoate
CID 10324177
tert-butyl 4-[(2S,3S)-3-benzyl-1-(benzylcarbamoyl)-3-ethyl-4-oxoazetidin-2-yl]oxybenzoate
CID 10481593
4-[(2R,3S)-1-(benzylcarbamoyl)-3-ethyl-3-methyl-4-oxoazetidin-2-yl]oxybenzoic acid
CID 10429981
4-[3,3-diethyl-4-oxo-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoic acid
CID 10479667
tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate
CID 10093833
benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate
CID 139747714
N-benzylacetamide;ethanamine
CID 22257034
2-[4-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyphenyl]acetic acid
CID 139666077
N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide
CID 130941448
4-[(2S)-3,3-diethyl-4-oxo-1-[4-[4-(trifluoromethyl)phenyl]butylcarbamoyl]azetidin-2-yl]oxybenzoic acid
CID 68732322
benzyl 4-[(2S)-3,3-diethyl-4-oxo-1-[4-[4-(trifluoromethyl)phenyl]but-3-enylcarbamoyl]azetidin-2-yl]oxybenzoate
CID 68732205

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide?
The IUPAC name of N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide (CID 10430684) is N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide?
The canonical SMILES for N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide is CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1O/N=C(\C)c1ccccc1.
What is the InChIKey of N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide?
The InChIKey is XKKFZVYZYDZWEN-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-23(5-2)20(27)26(22(28)24-16-18-12-8-6-9-13-18)21(23)29-25-17(3)19-14-10-7-11-15-19/h6-15,21H,4-5,16H2,1-3H3,(H,24,28)/b25-17+.
What are the key properties of N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide?
N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide is sourced from PubChem (CID 10430684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).