2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide

C22H28N4O3 — CID 51171051

IUPAC2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C22H28N4O3/c1-5-26(16(3)22(29)25-20-9-7-6-8-15(20)2)14-21(28)24-19-12-10-18(11-13-19)23-17(4)27/h6-13,16H,5,14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyKSXKIDUAYLJZKF-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.24
Rot. Bonds8

About 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide (PubChem CID 51171051) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
PubChem CID51171051
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C22H28N4O3/c1-5-26(16(3)22(29)25-20-9-7-6-8-15(20)2)14-21(28)24-19-12-10-18(11-13-19)23-17(4)27/h6-13,16H,5,14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyKSXKIDUAYLJZKF-UHFFFAOYSA-N
XLogP3.24
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 40746002
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide
CID 8791504
N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78787959
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide
CID 8779615
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclopentylpropanamide
CID 51171045
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide
CID 51171048
N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide
CID 112804401
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-pyrimidin-2-ylpropanamide
CID 78834668
2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide
CID 18224965
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057
(2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11933178
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 78840464

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide (CID 51171051) is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C(=O)Nc1ccccc1C.
What is the InChIKey of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide?
The InChIKey is KSXKIDUAYLJZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-5-26(16(3)22(29)25-20-9-7-6-8-15(20)2)14-21(28)24-19-12-10-18(11-13-19)23-17(4)27/h6-13,16H,5,14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide?
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 51171051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).