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

C21H26N4O3 — CID 8779968

IUPAC2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H26N4O3/c1-4-25(13-20(27)23-18-7-5-15(2)6-8-18)14-21(28)24-19-11-9-17(10-12-19)22-16(3)26/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyRCOVOEABWRRVNG-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.85
Rot. Bonds8

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

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8779968) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
PubChem CID8779968
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H26N4O3/c1-4-25(13-20(27)23-18-7-5-15(2)6-8-18)14-21(28)24-19-11-9-17(10-12-19)22-16(3)26/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyRCOVOEABWRRVNG-UHFFFAOYSA-N
XLogP2.85
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide
CID 8779947
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8791575
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
2-[(3-amino-2-methylpropyl)-ethylamino]-N-(4-methylphenyl)acetamide
CID 54987420
N-(4-methylphenyl)acetamide
CID 7684
N-(4-acetamidophenyl)-2-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]acetamide
CID 8791526
3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
CID 24588858
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide (CID 8779968) is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide is CCN(CC(=O)Nc1ccc(C)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is RCOVOEABWRRVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-25(13-20(27)23-18-7-5-15(2)6-8-18)14-21(28)24-19-11-9-17(10-12-19)22-16(3)26/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.85, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 8779968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).