N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide

C24H23N3O3 — CID 41375551

IUPACN-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3O3/c1-2-30-21-16-10-9-15-20(21)24(29)25-17-22(28)26-27-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,25,29)(H,26,28)
InChIKeyDQDBBNVMRCZDRY-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.38
Rot. Bonds8

About N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide

N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 41375551) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
PubChem CID41375551
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3O3/c1-2-30-21-16-10-9-15-20(21)24(29)25-17-22(28)26-27-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,25,29)(H,26,28)
InChIKeyDQDBBNVMRCZDRY-UHFFFAOYSA-N
XLogP3.38
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
methyl N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]carbamate
CID 60527308
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]benzamide
CID 7642098
N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
CID 9425595
2-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396087
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120524322
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518304

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide (CID 41375551) is N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is DQDBBNVMRCZDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-30-21-16-10-9-15-20(21)24(29)25-17-22(28)26-27-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide?
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 401.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 41375551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).