N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide

C22H28N4O4 — CID 8779947

IUPACN-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C22H28N4O4/c1-5-26(14-22(29)25-19-12-15(2)6-11-20(19)30-4)13-21(28)24-18-9-7-17(8-10-18)23-16(3)27/h6-12H,5,13-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyKIBHNGMVUJBQGV-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.86
Rot. Bonds9

About N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide

N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide (PubChem CID 8779947) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide
PubChem CID8779947
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C22H28N4O4/c1-5-26(14-22(29)25-19-12-15(2)6-11-20(19)30-4)13-21(28)24-18-9-7-17(8-10-18)23-16(3)27/h6-12H,5,13-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyKIBHNGMVUJBQGV-UHFFFAOYSA-N
XLogP2.86
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113131170
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
2-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)acetamide
CID 18383
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
2-[[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27201256
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide (CID 8779947) is N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is KIBHNGMVUJBQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-5-26(14-22(29)25-19-12-15(2)6-11-20(19)30-4)13-21(28)24-18-9-7-17(8-10-18)23-16(3)27/h6-12H,5,13-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 412.49 g/mol, XLogP of 2.86, 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-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 8779947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).