N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide

C21H26N4O3 — CID 54845988

IUPACN-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C21H26N4O3/c1-21(2,3)25-20(28)15-6-5-7-17(12-15)24-18(26)13-23-16-10-8-14(9-11-16)19(27)22-4/h5-12,23H,13H2,1-4H3,(H,22,27)(H,24,26)(H,25,28)
InChIKeyZVTFEGYTIBOMGG-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.63
Rot. Bonds6

About N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide

N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54845988) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54845988
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C21H26N4O3/c1-21(2,3)25-20(28)15-6-5-7-17(12-15)24-18(26)13-23-16-10-8-14(9-11-16)19(27)22-4/h5-12,23H,13H2,1-4H3,(H,22,27)(H,24,26)(H,25,28)
InChIKeyZVTFEGYTIBOMGG-UHFFFAOYSA-N
XLogP2.63
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]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-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834565
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54844566
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842839
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54845988) is N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide is CNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is ZVTFEGYTIBOMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-21(2,3)25-20(28)15-6-5-7-17(12-15)24-18(26)13-23-16-10-8-14(9-11-16)19(27)22-4/h5-12,23H,13H2,1-4H3,(H,22,27)(H,24,26)(H,25,28).
What are the key properties of N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54845988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).