N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide

C21H25N3O3 — CID 3069734

IUPACN-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide
SMILESCCN(CC)CCNC(=O)C(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-3-24(4-2)15-14-22-21(27)19(25)17-12-8-9-13-18(17)23-20(26)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyYLBWRDUWGUNRKO-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.58
Rot. Bonds9

About N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide

N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide (PubChem CID 3069734) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide
PubChem CID3069734
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide
SMILESCCN(CC)CCNC(=O)C(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-3-24(4-2)15-14-22-21(27)19(25)17-12-8-9-13-18(17)23-20(26)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyYLBWRDUWGUNRKO-UHFFFAOYSA-N
XLogP2.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide
CID 3069729
N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride
CID 21154669
2-(2-acetamidophenyl)-2-oxo-N-propylacetamide
CID 21232282
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide
CID 6803126
(Z)-3-[2-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid
CID 20834316
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
CID 17229734
N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
CID 108522195
N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide
CID 132564613
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
2-(2-acetamidophenyl)-2-oxo-N-(2-phenylethyl)acetamide
CID 3566210

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide?
The IUPAC name of N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide (CID 3069734) is N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide?
The canonical SMILES for N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide is CCN(CC)CCNC(=O)C(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide?
The InChIKey is YLBWRDUWGUNRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-24(4-2)15-14-22-21(27)19(25)17-12-8-9-13-18(17)23-20(26)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide?
N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide is sourced from PubChem (CID 3069734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).