2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide

C21H27N3O3 — CID 9027158

IUPAC2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(CC)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C21H27N3O3/c1-4-16-8-6-7-9-19(16)23-21(26)15-24(5-2)14-20(25)22-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyBKOBYSPLUCYOHA-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.16
Rot. Bonds9

About 2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide

2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9027158) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
PubChem CID9027158
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(CC)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C21H27N3O3/c1-4-16-8-6-7-9-19(16)23-21(26)15-24(5-2)14-20(25)22-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyBKOBYSPLUCYOHA-UHFFFAOYSA-N
XLogP3.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate
CID 24565982
3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
CID 24588963
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
2-[ethyl-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 18085874
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
1-N-(2-ethylphenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142010
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
N-(2-ethylphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968210

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide (CID 9027158) is 2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide is CCc1ccccc1NC(=O)CN(CC)CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is BKOBYSPLUCYOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-16-8-6-7-9-19(16)23-21(26)15-24(5-2)14-20(25)22-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide?
2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9027158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).