2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide

C22H29N3O4 — CID 170903365

IUPAC2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
SMILESCCN(CC(=O)Nc1c(C)ccc(O)c1C)CC(=O)Nc1c(C)ccc(O)c1C
InChIInChI=1S/C22H29N3O4/c1-6-25(11-19(28)23-21-13(2)7-9-17(26)15(21)4)12-20(29)24-22-14(3)8-10-18(27)16(22)5/h7-10,26-27H,6,11-12H2,1-5H3,(H,23,28)(H,24,29)
InChIKeyQOWKDLSFKRAGGL-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.23
Rot. Bonds7

About 2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide

2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide (PubChem CID 170903365) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
PubChem CID170903365
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
SMILESCCN(CC(=O)Nc1c(C)ccc(O)c1C)CC(=O)Nc1c(C)ccc(O)c1C
InChIInChI=1S/C22H29N3O4/c1-6-25(11-19(28)23-21-13(2)7-9-17(26)15(21)4)12-20(29)24-22-14(3)8-10-18(27)16(22)5/h7-10,26-27H,6,11-12H2,1-5H3,(H,23,28)(H,24,29)
InChIKeyQOWKDLSFKRAGGL-UHFFFAOYSA-N
XLogP3.23
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-(diethylamino)-N-[3-(4-fluorophenyl)-2,6-dimethylphenyl]acetamide
CID 165436471
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide
CID 67352086
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide
CID 91070508
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
CID 660469
N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide
CID 67572758

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide (CID 170903365) is 2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide is CCN(CC(=O)Nc1c(C)ccc(O)c1C)CC(=O)Nc1c(C)ccc(O)c1C.
What is the InChIKey of 2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide?
The InChIKey is QOWKDLSFKRAGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-6-25(11-19(28)23-21-13(2)7-9-17(26)15(21)4)12-20(29)24-22-14(3)8-10-18(27)16(22)5/h7-10,26-27H,6,11-12H2,1-5H3,(H,23,28)(H,24,29).
What are the key properties of 2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide?
2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.23, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 170903365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).