N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide

C25H27N3O2 — CID 55761158

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide
SMILESCCN(Cc1cccc(NC(=O)c2ccccc2N(C)c2ccccc2)c1)C(C)=O
InChIInChI=1S/C25H27N3O2/c1-4-28(19(2)29)18-20-11-10-12-21(17-20)26-25(30)23-15-8-9-16-24(23)27(3)22-13-6-5-7-14-22/h5-17H,4,18H2,1-3H3,(H,26,30)
InChIKeyWZAFFKQDAICARO-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.08
Rot. Bonds7

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide (PubChem CID 55761158) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide
PubChem CID55761158
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide
SMILESCCN(Cc1cccc(NC(=O)c2ccccc2N(C)c2ccccc2)c1)C(C)=O
InChIInChI=1S/C25H27N3O2/c1-4-28(19(2)29)18-20-11-10-12-21(17-20)26-25(30)23-15-8-9-16-24(23)27(3)22-13-6-5-7-14-22/h5-17H,4,18H2,1-3H3,(H,26,30)
InChIKeyWZAFFKQDAICARO-UHFFFAOYSA-N
XLogP5.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)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-(3-acetamidophenyl)-2-(N-methylanilino)benzamide
CID 55736923
2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide
CID 86872640
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
CID 60511474
N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
CID 34333863
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
CID 38810181
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 34333420
2-[(3-ethylphenyl)carbamoyl]benzoic acid;propan-2-one
CID 123349577
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 52583608
N-[3-(diethylaminomethyl)phenyl]-2-phenylbenzamide
CID 38755706
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46440370
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide
CID 38809102

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide (CID 55761158) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide is CCN(Cc1cccc(NC(=O)c2ccccc2N(C)c2ccccc2)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide?
The InChIKey is WZAFFKQDAICARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-4-28(19(2)29)18-20-11-10-12-21(17-20)26-25(30)23-15-8-9-16-24(23)27(3)22-13-6-5-7-14-22/h5-17H,4,18H2,1-3H3,(H,26,30).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide has a molecular weight of 401.51 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(N-methylanilino)benzamide is sourced from PubChem (CID 55761158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).