[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

C23H30N4O6 — CID 71889032

IUPAC[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C23H30N4O6/c1-5-27(6-2)17-11-9-16(10-12-17)21(29)26-25-19(28)14-33-23(31)20(15(3)4)24-22(30)18-8-7-13-32-18/h7-13,15,20H,5-6,14H2,1-4H3,(H,24,30)(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyCWYPDAZEDPMGAX-FQEVSTJZSA-N
MW458.52 g/mol
LogP1.88
Rot. Bonds10

About [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 71889032) has the molecular formula C23H30N4O6 and a molecular weight of 458.52 g/mol. Its IUPAC name is [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID71889032
Molecular FormulaC23H30N4O6
Molecular Weight458.52 g/mol
Exact Mass458.22
IUPAC Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C23H30N4O6/c1-5-27(6-2)17-11-9-16(10-12-17)21(29)26-25-19(28)14-33-23(31)20(15(3)4)24-22(30)18-8-7-13-32-18/h7-13,15,20H,5-6,14H2,1-4H3,(H,24,30)(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyCWYPDAZEDPMGAX-FQEVSTJZSA-N
XLogP1.88
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate 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

[2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575628
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565951
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566368
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55306477
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575614
[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566578
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2470214
[2-(2,6-dichloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575621
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566168
N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 9365986
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8576003
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7433512

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (CID 71889032) is [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1.
What is the InChIKey of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is CWYPDAZEDPMGAX-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N4O6/c1-5-27(6-2)17-11-9-16(10-12-17)21(29)26-25-19(28)14-33-23(31)20(15(3)4)24-22(30)18-8-7-13-32-18/h7-13,15,20H,5-6,14H2,1-4H3,(H,24,30)(H,25,28)(H,26,29)/t20-/m0/s1.
What are the key properties of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 458.52 g/mol, XLogP of 1.88, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 71889032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).