N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide

C20H22N2O4 — CID 60607023

IUPACN,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2cccc(C=O)c2)c1
InChIInChI=1S/C20H22N2O4/c1-3-22(4-2)20(25)16-8-6-9-17(12-16)21-19(24)14-26-18-10-5-7-15(11-18)13-23/h5-13H,3-4,14H2,1-2H3,(H,21,24)
InChIKeyZBPWYECZLYOMQN-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.00
Rot. Bonds8

About N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide

N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide (PubChem CID 60607023) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
PubChem CID60607023
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2cccc(C=O)c2)c1
InChIInChI=1S/C20H22N2O4/c1-3-22(4-2)20(25)16-8-6-9-17(12-16)21-19(24)14-26-18-10-5-7-15(11-18)13-23/h5-13H,3-4,14H2,1-2H3,(H,21,24)
InChIKeyZBPWYECZLYOMQN-UHFFFAOYSA-N
XLogP3.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808978
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
CID 66489078
N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide
CID 8648051
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007671
N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide
CID 2989004

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide (CID 60607023) is N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)COc2cccc(C=O)c2)c1.
What is the InChIKey of N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide?
The InChIKey is ZBPWYECZLYOMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-22(4-2)20(25)16-8-6-9-17(12-16)21-19(24)14-26-18-10-5-7-15(11-18)13-23/h5-13H,3-4,14H2,1-2H3,(H,21,24).
What are the key properties of N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide?
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 60607023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).