[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate

C23H29N3O4 — CID 7434489

IUPAC[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H29N3O4/c1-6-26(7-2)19-10-8-18(9-11-19)22(28)25-24-20(27)14-30-23(29)21-16(4)12-15(3)13-17(21)5/h8-13H,6-7,14H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyZSPGCQJQERDKIX-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.08
Rot. Bonds7

About [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate

[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate (PubChem CID 7434489) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate
PubChem CID7434489
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H29N3O4/c1-6-26(7-2)19-10-8-18(9-11-19)22(28)25-24-20(27)14-30-23(29)21-16(4)12-15(3)13-17(21)5/h8-13H,6-7,14H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyZSPGCQJQERDKIX-UHFFFAOYSA-N
XLogP3.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472786
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7433129
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7433550
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7433204
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7432008
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] pyrazine-2-carboxylate
CID 7432805
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
N-[4-(diethylamino)phenyl]-2,4,6-trimethylbenzamide
CID 19167686
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7433512
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510885
(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate
CID 7472995
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
CID 2506262

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate?
The IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate (CID 7434489) is [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate.
What is the SMILES notation for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate?
The canonical SMILES for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate is CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate?
The InChIKey is ZSPGCQJQERDKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-6-26(7-2)19-10-8-18(9-11-19)22(28)25-24-20(27)14-30-23(29)21-16(4)12-15(3)13-17(21)5/h8-13H,6-7,14H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate?
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate has a molecular weight of 411.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate is sourced from PubChem (CID 7434489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).