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

C27H30N4O3 — CID 54837466

IUPACN-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C27H30N4O3/c1-19(2)16-25(32)29-21-12-14-22(15-13-21)30-26(33)18-28-23-9-7-8-20(17-23)27(34)31(3)24-10-5-4-6-11-24/h4-15,17,19,28H,16,18H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyNELMEADPQZIYOJ-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.00
Rot. Bonds9

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

N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 54837466) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID54837466
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C27H30N4O3/c1-19(2)16-25(32)29-21-12-14-22(15-13-21)30-26(33)18-28-23-9-7-8-20(17-23)27(34)31(3)24-10-5-4-6-11-24/h4-15,17,19,28H,16,18H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyNELMEADPQZIYOJ-UHFFFAOYSA-N
XLogP5.00
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837413
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
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
N-(2-methoxyethyl)-3-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54838787
3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837360

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide (CID 54837466) is N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide is CC(C)CC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is NELMEADPQZIYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-19(2)16-25(32)29-21-12-14-22(15-13-21)30-26(33)18-28-23-9-7-8-20(17-23)27(34)31(3)24-10-5-4-6-11-24/h4-15,17,19,28H,16,18H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide has a molecular weight of 458.56 g/mol, XLogP of 5.00, 9 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-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54837466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).