N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide

C26H32N2O — CID 84556609

IUPACN-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C26H32N2O/c1-2-22-7-3-4-9-24(22)27-17-18-6-5-8-23(13-18)25(29)28-26-14-19-10-20(15-26)12-21(11-19)16-26/h3-9,13,19-21,27H,2,10-12,14-17H2,1H3,(H,28,29)
InChIKeyBJTBPBVZKSJSSU-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.56
Rot. Bonds6

About N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide

N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide (PubChem CID 84556609) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide
PubChem CID84556609
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC NameN-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C26H32N2O/c1-2-22-7-3-4-9-24(22)27-17-18-6-5-8-23(13-18)25(29)28-26-14-19-10-20(15-26)12-21(11-19)16-26/h3-9,13,19-21,27H,2,10-12,14-17H2,1H3,(H,28,29)
InChIKeyBJTBPBVZKSJSSU-UHFFFAOYSA-N
XLogP5.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 84556584
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
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-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556572
methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554562
[3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 84557978

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide?
The IUPAC name of N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide (CID 84556609) is N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide.
What is the SMILES notation for N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide?
The canonical SMILES for N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide is CCc1ccccc1NCc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide?
The InChIKey is BJTBPBVZKSJSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-2-22-7-3-4-9-24(22)27-17-18-6-5-8-23(13-18)25(29)28-26-14-19-10-20(15-26)12-21(11-19)16-26/h3-9,13,19-21,27H,2,10-12,14-17H2,1H3,(H,28,29).
What are the key properties of N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide?
N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide has a molecular weight of 388.56 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide is sourced from PubChem (CID 84556609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).