ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate

C17H24N4O4 — CID 3281157

IUPACethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)CCC(C)=NNc1ccccc1
InChIInChI=1S/C17H24N4O4/c1-3-25-17(24)12-19-16(23)11-18-15(22)10-9-13(2)20-21-14-7-5-4-6-8-14/h4-8,21H,3,9-12H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyPFNHNZULQYFKJN-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.05
Rot. Bonds10

About ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate

ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate (PubChem CID 3281157) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate
PubChem CID3281157
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Nameethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)CCC(C)=NNc1ccccc1
InChIInChI=1S/C17H24N4O4/c1-3-25-17(24)12-19-16(23)11-18-15(22)10-9-13(2)20-21-14-7-5-4-6-8-14/h4-8,21H,3,9-12H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyPFNHNZULQYFKJN-UHFFFAOYSA-N
XLogP1.05
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
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 ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (4E)-4-(phenylhydrazinylidene)pentanoate
CID 5355076
ethyl (3Z)-3-[(4-anilino-4-oxobutanoyl)hydrazinylidene]butanoate
CID 6151884
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
CID 129012663
ethyl 2-(4-phenylsulfanylbutanoylamino)acetate
CID 14708923
ethyl (3E)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 5368572
ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 6273765
ethyl 3-anilino-3-oxopropanoate
CID 3016808
ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418
ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate
CID 4261484
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate (CID 3281157) is ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate is CCOC(=O)CNC(=O)CNC(=O)CCC(C)=NNc1ccccc1.
What is the InChIKey of ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate?
The InChIKey is PFNHNZULQYFKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-3-25-17(24)12-19-16(23)11-18-15(22)10-9-13(2)20-21-14-7-5-4-6-8-14/h4-8,21H,3,9-12H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate?
ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate has a molecular weight of 348.40 g/mol, XLogP of 1.05, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(phenylhydrazinylidene)pentanoylamino]acetyl]amino]acetate is sourced from PubChem (CID 3281157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).