N-(2-adamantyl)-3-benzamido-4-methylbenzamide

C25H28N2O2 — CID 78862723

IUPACN-(2-adamantyl)-3-benzamido-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-15-7-8-19(14-22(15)26-24(28)18-5-3-2-4-6-18)25(29)27-23-20-10-16-9-17(12-20)13-21(23)11-16/h2-8,14,16-17,20-21,23H,9-13H2,1H3,(H,26,28)(H,27,29)
InChIKeyVXEPMWBJOBUGMA-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.80
Rot. Bonds4

About N-(2-adamantyl)-3-benzamido-4-methylbenzamide

N-(2-adamantyl)-3-benzamido-4-methylbenzamide (PubChem CID 78862723) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(2-adamantyl)-3-benzamido-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-benzamido-4-methylbenzamide
PubChem CID78862723
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-(2-adamantyl)-3-benzamido-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-15-7-8-19(14-22(15)26-24(28)18-5-3-2-4-6-18)25(29)27-23-20-10-16-9-17(12-20)13-21(23)11-16/h2-8,14,16-17,20-21,23H,9-13H2,1H3,(H,26,28)(H,27,29)
InChIKeyVXEPMWBJOBUGMA-UHFFFAOYSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
N-(2-adamantyl)-4-phenylbenzamide
CID 3608392
3-benzamido-N,4-dimethylbenzamide
CID 17226324
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide
CID 119603863
N-(2-adamantyl)-3-bromobenzamide
CID 771513
N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide
CID 20740044
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate
CID 6982314
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 46411335

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-benzamido-4-methylbenzamide?
The IUPAC name of N-(2-adamantyl)-3-benzamido-4-methylbenzamide (CID 78862723) is N-(2-adamantyl)-3-benzamido-4-methylbenzamide.
What is the SMILES notation for N-(2-adamantyl)-3-benzamido-4-methylbenzamide?
The canonical SMILES for N-(2-adamantyl)-3-benzamido-4-methylbenzamide is Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(2-adamantyl)-3-benzamido-4-methylbenzamide?
The InChIKey is VXEPMWBJOBUGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-15-7-8-19(14-22(15)26-24(28)18-5-3-2-4-6-18)25(29)27-23-20-10-16-9-17(12-20)13-21(23)11-16/h2-8,14,16-17,20-21,23H,9-13H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(2-adamantyl)-3-benzamido-4-methylbenzamide?
N-(2-adamantyl)-3-benzamido-4-methylbenzamide has a molecular weight of 388.51 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-benzamido-4-methylbenzamide is sourced from PubChem (CID 78862723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).