N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide

C25H27N3O2 — CID 54842929

IUPACN-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
SMILESCc1cc(C)c(NC(=O)CNc2cccc(C(=O)NCc3ccccc3)c2)c(C)c1
InChIInChI=1S/C25H27N3O2/c1-17-12-18(2)24(19(3)13-17)28-23(29)16-26-22-11-7-10-21(14-22)25(30)27-15-20-8-5-4-6-9-20/h4-14,26H,15-16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyYQMLDSSQNRARAG-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.59
Rot. Bonds7

About N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide

N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide (PubChem CID 54842929) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
PubChem CID54842929
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
SMILESCc1cc(C)c(NC(=O)CNc2cccc(C(=O)NCc3ccccc3)c2)c(C)c1
InChIInChI=1S/C25H27N3O2/c1-17-12-18(2)24(19(3)13-17)28-23(29)16-26-22-11-7-10-21(14-22)25(30)27-15-20-8-5-4-6-9-20/h4-14,26H,15-16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyYQMLDSSQNRARAG-UHFFFAOYSA-N
XLogP4.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]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-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54842992
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
3-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide
CID 54834929
methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817135
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
N-butan-2-yl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54833805
3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26312991
N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822226
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-benzylbenzamide
CID 54844455
N-benzyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842997

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide (CID 54842929) is N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide is Cc1cc(C)c(NC(=O)CNc2cccc(C(=O)NCc3ccccc3)c2)c(C)c1.
What is the InChIKey of N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide?
The InChIKey is YQMLDSSQNRARAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17-12-18(2)24(19(3)13-17)28-23(29)16-26-22-11-7-10-21(14-22)25(30)27-15-20-8-5-4-6-9-20/h4-14,26H,15-16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide?
N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54842929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).