N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide

C26H28N4O3 — CID 54837413

IUPACN-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C26H28N4O3/c1-18(2)25(32)29-21-14-12-20(13-15-21)28-24(31)17-27-22-9-7-8-19(16-22)26(33)30(3)23-10-5-4-6-11-23/h4-16,18,27H,17H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyRMYXEGORCLJWMB-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.61
Rot. Bonds8

About N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide

N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 54837413) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID54837413
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C26H28N4O3/c1-18(2)25(32)29-21-14-12-20(13-15-21)28-24(31)17-27-22-9-7-8-19(16-22)26(33)30(3)23-10-5-4-6-11-23/h4-16,18,27H,17H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyRMYXEGORCLJWMB-UHFFFAOYSA-N
XLogP4.61
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837466
N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
CID 54833224
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838290
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840259
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837432
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837384
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54837059

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide (CID 54837413) is N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide is CC(C)C(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is RMYXEGORCLJWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18(2)25(32)29-21-14-12-20(13-15-21)28-24(31)17-27-22-9-7-8-19(16-22)26(33)30(3)23-10-5-4-6-11-23/h4-16,18,27H,17H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide has a molecular weight of 444.54 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54837413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).