N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide

C23H28N4O4 — CID 55898772

IUPACN-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CNc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C23H28N4O4/c1-14-4-9-20(31-3)19(10-14)27-22(29)13-25-21(28)12-24-18-11-16(6-5-15(18)2)23(30)26-17-7-8-17/h4-6,9-11,17,24H,7-8,12-13H2,1-3H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyMXBDTQGCAAWZMN-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.37
Rot. Bonds9

About N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide

N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide (PubChem CID 55898772) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide
PubChem CID55898772
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CNc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C23H28N4O4/c1-14-4-9-20(31-3)19(10-14)27-22(29)13-25-21(28)12-24-18-11-16(6-5-15(18)2)23(30)26-17-7-8-17/h4-6,9-11,17,24H,7-8,12-13H2,1-3H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyMXBDTQGCAAWZMN-UHFFFAOYSA-N
XLogP2.37
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide with MolForge

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Related Compounds

3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60536487
N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
CID 55897484
2-(4-chloro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507206
2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26528432
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17460856
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 24673626
dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 9099944
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17425229

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide (CID 55898772) is N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide is COc1ccc(C)cc1NC(=O)CNC(=O)CNc1cc(C(=O)NC2CC2)ccc1C.
What is the InChIKey of N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide?
The InChIKey is MXBDTQGCAAWZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-14-4-9-20(31-3)19(10-14)27-22(29)13-25-21(28)12-24-18-11-16(6-5-15(18)2)23(30)26-17-7-8-17/h4-6,9-11,17,24H,7-8,12-13H2,1-3H3,(H,25,28)(H,26,30)(H,27,29).
What are the key properties of N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide?
N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide has a molecular weight of 424.50 g/mol, XLogP of 2.37, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide is sourced from PubChem (CID 55898772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).