N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide

C20H23N3O3 — CID 86835481

IUPACN,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(/C=N/OC)cc1
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)20(25)17-8-6-7-9-18(17)22-19(24)16-12-10-15(11-13-16)14-21-26-3/h6-14H,4-5H2,1-3H3,(H,22,24)/b21-14+
InChIKeyIJBBDJYIKFATBX-KGENOOAVSA-N
MW353.42 g/mol
LogP3.40
Rot. Bonds7

About N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide

N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide (PubChem CID 86835481) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide
PubChem CID86835481
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(/C=N/OC)cc1
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)20(25)17-8-6-7-9-18(17)22-19(24)16-12-10-15(11-13-16)14-21-26-3/h6-14H,4-5H2,1-3H3,(H,22,24)/b21-14+
InChIKeyIJBBDJYIKFATBX-KGENOOAVSA-N
XLogP3.40
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
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'}

Analyze N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide 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

N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide
CID 86835479
2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide
CID 86932919
N,N-diethyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21367636
N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide
CID 86835460
N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86835530
4-(methoxyiminomethyl)-N,N-dipropylbenzamide
CID 102603410
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide
CID 71951855
1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048442
N,N-diethyl-2-formamidobenzamide
CID 168652158
N,N-diethyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119746610

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide (CID 86835481) is N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide is CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(/C=N/OC)cc1.
What is the InChIKey of N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide?
The InChIKey is IJBBDJYIKFATBX-KGENOOAVSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-23(5-2)20(25)17-8-6-7-9-18(17)22-19(24)16-12-10-15(11-13-16)14-21-26-3/h6-14H,4-5H2,1-3H3,(H,22,24)/b21-14+.
What are the key properties of N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide?
N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide has a molecular weight of 353.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide is sourced from PubChem (CID 86835481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).