3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C25H35N3O — CID 84556584

IUPAC3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C25H35N3O/c1-6-19-11-7-8-13-22(19)26-17-18-10-9-12-20(14-18)23(29)27-21-15-24(2,3)28-25(4,5)16-21/h7-14,21,26,28H,6,15-17H2,1-5H3,(H,27,29)
InChIKeyXICULAJLTKIXGK-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.90
Rot. Bonds6

About 3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 84556584) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID84556584
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C25H35N3O/c1-6-19-11-7-8-13-22(19)26-17-18-10-9-12-20(14-18)23(29)27-21-15-24(2,3)28-25(4,5)16-21/h7-14,21,26,28H,6,15-17H2,1-5H3,(H,27,29)
InChIKeyXICULAJLTKIXGK-UHFFFAOYSA-N
XLogP4.90
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556609
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-4-methylbenzoic acid
CID 84554573
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-methylbutanoic acid
CID 84556582
2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid
CID 84556600
N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide
CID 84556601

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 84556584) is 3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CCc1ccccc1NCc1cccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1.
What is the InChIKey of 3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is XICULAJLTKIXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-6-19-11-7-8-13-22(19)26-17-18-10-9-12-20(14-18)23(29)27-21-15-24(2,3)28-25(4,5)16-21/h7-14,21,26,28H,6,15-17H2,1-5H3,(H,27,29).
What are the key properties of 3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 393.58 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 84556584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).