2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide

C28H29N5O5 — CID 3481613

IUPAC2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)CON=C(C)c1ccccc1
InChIInChI=1S/C28H29N5O5/c1-3-23(28(37)32-31-25(34)18-38-33-19(2)20-12-6-4-7-13-20)29-27(36)22-16-10-11-17-24(22)30-26(35)21-14-8-5-9-15-21/h4-17,23H,3,18H2,1-2H3,(H,29,36)(H,30,35)(H,31,34)(H,32,37)
InChIKeyIDPUWUJOLNLZRG-UHFFFAOYSA-N
MW515.57 g/mol
LogP3.04
Rot. Bonds10

About 2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide

2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide (PubChem CID 3481613) has the molecular formula C28H29N5O5 and a molecular weight of 515.57 g/mol. Its IUPAC name is 2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide
PubChem CID3481613
Molecular FormulaC28H29N5O5
Molecular Weight515.57 g/mol
Exact Mass515.22
IUPAC Name2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)CON=C(C)c1ccccc1
InChIInChI=1S/C28H29N5O5/c1-3-23(28(37)32-31-25(34)18-38-33-19(2)20-12-6-4-7-13-20)29-27(36)22-16-10-11-17-24(22)30-26(35)21-14-8-5-9-15-21/h4-17,23H,3,18H2,1-2H3,(H,29,36)(H,30,35)(H,31,34)(H,32,37)
InChIKeyIDPUWUJOLNLZRG-UHFFFAOYSA-N
XLogP3.04
TPSA137.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide with MolForge

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 27442036
2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide
CID 4069315
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719
2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide
CID 4096684
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
methyl 2-[[2-(1-phenylethylideneamino)oxyacetyl]amino]benzoate
CID 3533780
N-[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112023
N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 40836631
2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 3436159
2-benzamido-N-[(2R,3S)-1-(2,2-diphenylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 29057414
(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
CID 1366278
2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide
CID 3123980

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide?
The IUPAC name of 2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide (CID 3481613) is 2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide is CCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)CON=C(C)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide?
The InChIKey is IDPUWUJOLNLZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O5/c1-3-23(28(37)32-31-25(34)18-38-33-19(2)20-12-6-4-7-13-20)29-27(36)22-16-10-11-17-24(22)30-26(35)21-14-8-5-9-15-21/h4-17,23H,3,18H2,1-2H3,(H,29,36)(H,30,35)(H,31,34)(H,32,37).
What are the key properties of 2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide?
2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide has a molecular weight of 515.57 g/mol, XLogP of 3.04, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide is sourced from PubChem (CID 3481613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).