N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide

C26H29N3O2 — CID 55779074

IUPACN-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O2/c1-3-29(4-2)19-20-15-17-22(18-16-20)25(30)28-24(21-11-7-5-8-12-21)26(31)27-23-13-9-6-10-14-23/h5-18,24H,3-4,19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyFMKJSNXHJGGCEE-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.64
Rot. Bonds9

About N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide

N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide (PubChem CID 55779074) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide
PubChem CID55779074
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O2/c1-3-29(4-2)19-20-15-17-22(18-16-20)25(30)28-24(21-11-7-5-8-12-21)26(31)27-23-13-9-6-10-14-23/h5-18,24H,3-4,19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyFMKJSNXHJGGCEE-UHFFFAOYSA-N
XLogP4.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxo-1-phenylethyl)-4-ethylbenzamide
CID 55726687
N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide
CID 55779161
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide
CID 51967572
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide
CID 72705119
N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909345
N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55602409
N-(2-anilino-2-oxo-1-phenylethyl)-3-(4-ethylphenyl)propanamide
CID 55726661
N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide
CID 72705315
(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid
CID 119367704
3-bromo-N-[(1S)-2-[4-(hydroxycarbamoyl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 171346842

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide?
The IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide (CID 55779074) is N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide.
What is the SMILES notation for N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide?
The canonical SMILES for N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide is CCN(CC)Cc1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide?
The InChIKey is FMKJSNXHJGGCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-29(4-2)19-20-15-17-22(18-16-20)25(30)28-24(21-11-7-5-8-12-21)26(31)27-23-13-9-6-10-14-23/h5-18,24H,3-4,19H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide?
N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide is sourced from PubChem (CID 55779074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).