2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide

C21H26N2O3 — CID 8008131

IUPAC2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C21H26N2O3/c1-13(2)15-9-7-10-16(14(3)4)20(15)23-19(24)12-26-18-11-6-5-8-17(18)21(22)25/h5-11,13-14H,12H2,1-4H3,(H2,22,25)(H,23,24)
InChIKeyUMKWMGTYIZMQHO-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.05
Rot. Bonds7

About 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide

2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide (PubChem CID 8008131) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide
PubChem CID8008131
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C21H26N2O3/c1-13(2)15-9-7-10-16(14(3)4)20(15)23-19(24)12-26-18-11-6-5-8-17(18)21(22)25/h5-11,13-14H,12H2,1-4H3,(H2,22,25)(H,23,24)
InChIKeyUMKWMGTYIZMQHO-UHFFFAOYSA-N
XLogP4.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 833595
2-(2-acetylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112781602
N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 7762730
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088271
N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 727454
2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 9090585
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854161
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402308

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide (CID 8008131) is 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide is CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide?
The InChIKey is UMKWMGTYIZMQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-13(2)15-9-7-10-16(14(3)4)20(15)23-19(24)12-26-18-11-6-5-8-17(18)21(22)25/h5-11,13-14H,12H2,1-4H3,(H2,22,25)(H,23,24).
What are the key properties of 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide?
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 8008131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).