[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate

C22H23N3O5 — CID 7432008

IUPAC[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H23N3O5/c1-3-25(4-2)17-11-9-15(10-12-17)21(27)24-23-20(26)14-29-22(28)19-13-16-7-5-6-8-18(16)30-19/h5-13H,3-4,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZDPBVMKUKBNFIG-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.90
Rot. Bonds7

About [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 7432008) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID7432008
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H23N3O5/c1-3-25(4-2)17-11-9-15(10-12-17)21(27)24-23-20(26)14-29-22(28)19-13-16-7-5-6-8-18(16)30-19/h5-13H,3-4,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZDPBVMKUKBNFIG-UHFFFAOYSA-N
XLogP2.90
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7434489
[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194046
[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-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 42978396
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7433512
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7433204
N-[[4-(diethylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1016545
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] pyrazine-2-carboxylate
CID 7432805
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
CID 7210520
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193975

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 7432008) is [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate is CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is ZDPBVMKUKBNFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-25(4-2)17-11-9-15(10-12-17)21(27)24-23-20(26)14-29-22(28)19-13-16-7-5-6-8-18(16)30-19/h5-13H,3-4,14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 409.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7432008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).