[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate

C23H29N3O4 — CID 7433512

IUPAC[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O4/c1-4-20(17-10-8-7-9-11-17)23(29)30-16-21(27)24-25-22(28)18-12-14-19(15-13-18)26(5-2)6-3/h7-15,20H,4-6,16H2,1-3H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeySZWWURJHYZQKAD-HXUWFJFHSA-N
MW411.50 g/mol
LogP3.03
Rot. Bonds9

About [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate

[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate (PubChem CID 7433512) 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] (2R)-2-phenylbutanoate.

Molecular Properties

Compound Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate
PubChem CID7433512
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O4/c1-4-20(17-10-8-7-9-11-17)23(29)30-16-21(27)24-25-22(28)18-12-14-19(15-13-18)26(5-2)6-3/h7-15,20H,4-6,16H2,1-3H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeySZWWURJHYZQKAD-HXUWFJFHSA-N
XLogP3.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.03
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-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate
CID 18207921
4-(diethylamino)-N'-(2,2-diphenylacetyl)benzohydrazide
CID 7551714
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2353550
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337
4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide
CID 9156259
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(diethylamino)benzoate
CID 2515023
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7432008
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7434489
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7433550
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 71889032
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18280098

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate?
The IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate (CID 7433512) is [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate.
What is the SMILES notation for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate?
The canonical SMILES for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate is CC[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(N(CC)CC)cc1)c1ccccc1.
What is the InChIKey of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate?
The InChIKey is SZWWURJHYZQKAD-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-20(17-10-8-7-9-11-17)23(29)30-16-21(27)24-25-22(28)18-12-14-19(15-13-18)26(5-2)6-3/h7-15,20H,4-6,16H2,1-3H3,(H,24,27)(H,25,28)/t20-/m1/s1.
What are the key properties of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate?
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2R)-2-phenylbutanoate has a molecular weight of 411.50 g/mol, XLogP of 3.03, 9 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] (2R)-2-phenylbutanoate is sourced from PubChem (CID 7433512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).