N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide

C21H26N4O4 — CID 9029924

IUPACN-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H26N4O4/c1-4-25(14-21(28)24-18-7-5-6-8-19(18)29-3)13-20(27)23-17-11-9-16(10-12-17)22-15(2)26/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyNKAFNVRNBAFCGL-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.55
Rot. Bonds9

About N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide

N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide (PubChem CID 9029924) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
PubChem CID9029924
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H26N4O4/c1-4-25(14-21(28)24-18-7-5-6-8-19(18)29-3)13-20(27)23-17-11-9-16(10-12-17)22-15(2)26/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyNKAFNVRNBAFCGL-UHFFFAOYSA-N
XLogP2.55
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18078727
propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
CID 9029476
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide
CID 8779947
N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029512
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-(4-acetamidophenyl)-N-(2-methoxyphenyl)acetamide
CID 17410326
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027158
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 38120268

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide (CID 9029924) is N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccccc1OC.
What is the InChIKey of N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is NKAFNVRNBAFCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-4-25(14-21(28)24-18-7-5-6-8-19(18)29-3)13-20(27)23-17-11-9-16(10-12-17)22-15(2)26/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 398.46 g/mol, XLogP of 2.55, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9029924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).