N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide

C25H29NO — CID 4160024

IUPACN-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide
SMILESCc1ccc(C23CC4CC(CC(CNC(=O)c5ccccc5)(C4)C2)C3)cc1
InChIInChI=1S/C25H29NO/c1-18-7-9-22(10-8-18)25-14-19-11-20(15-25)13-24(12-19,16-25)17-26-23(27)21-5-3-2-4-6-21/h2-10,19-20H,11-17H2,1H3,(H,26,27)
InChIKeyWWIMXLBOXZAALC-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.26
Rot. Bonds4

About N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide

N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide (PubChem CID 4160024) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide
PubChem CID4160024
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC NameN-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide
SMILESCc1ccc(C23CC4CC(CC(CNC(=O)c5ccccc5)(C4)C2)C3)cc1
InChIInChI=1S/C25H29NO/c1-18-7-9-22(10-8-18)25-14-19-11-20(15-25)13-24(12-19,16-25)17-26-23(27)21-5-3-2-4-6-21/h2-10,19-20H,11-17H2,1H3,(H,26,27)
InChIKeyWWIMXLBOXZAALC-UHFFFAOYSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethoxy-N-[4-[[3-(4-methylphenyl)-1-adamantyl]methylcarbamoyl]phenyl]benzamide
CID 3587184
(5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 7312500
N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide
CID 98145472
2-[3-(4-methylphenyl)-1-adamantyl]-1-pyrrolidin-1-ylethanone
CID 4627883
[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methanamine
CID 1377968
1-benzyl-3-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]urea
CID 98173867
N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide
CID 98144092
N-[[(3R,5R)-3,5-dimethyl-1-adamantyl]methyl]benzamide
CID 98095522
2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 27835435
N-benzyl-2-(3-phenyl-1-adamantyl)acetamide
CID 2953915
[4-[(5S,7S)-3-(4-methylphenyl)adamantane-1-carbonyl]piperazin-1-yl]-phenylmethanone
CID 98171398
1-(2-morpholin-4-ylethyl)-3-[[(5S,7S)-3-phenyl-1-adamantyl]methyl]urea
CID 98172439

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide?
The IUPAC name of N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide (CID 4160024) is N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide.
What is the SMILES notation for N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide?
The canonical SMILES for N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide is Cc1ccc(C23CC4CC(CC(CNC(=O)c5ccccc5)(C4)C2)C3)cc1.
What is the InChIKey of N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide?
The InChIKey is WWIMXLBOXZAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-18-7-9-22(10-8-18)25-14-19-11-20(15-25)13-24(12-19,16-25)17-26-23(27)21-5-3-2-4-6-21/h2-10,19-20H,11-17H2,1H3,(H,26,27).
What are the key properties of N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide?
N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide has a molecular weight of 359.51 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide is sourced from PubChem (CID 4160024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).