N-(1-adamantyl)-2,2-diphenylpropanamide

C25H29NO — CID 10737199

IUPACN-(1-adamantyl)-2,2-diphenylpropanamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-24(21-8-4-2-5-9-21,22-10-6-3-7-11-22)23(27)26-25-15-18-12-19(16-25)14-20(13-18)17-25/h2-11,18-20H,12-17H2,1H3,(H,26,27)
InChIKeyZZTPOPSIKVJAOB-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.08
Rot. Bonds4

About N-(1-adamantyl)-2,2-diphenylpropanamide

N-(1-adamantyl)-2,2-diphenylpropanamide (PubChem CID 10737199) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(1-adamantyl)-2,2-diphenylpropanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2,2-diphenylpropanamide
PubChem CID10737199
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC NameN-(1-adamantyl)-2,2-diphenylpropanamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-24(21-8-4-2-5-9-21,22-10-6-3-7-11-22)23(27)26-25-15-18-12-19(16-25)14-20(13-18)17-25/h2-11,18-20H,12-17H2,1H3,(H,26,27)
InChIKeyZZTPOPSIKVJAOB-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylpropan-2-yl)adamantan-1-amine
CID 102026641
N-(1-adamantyl)-2-methoxy-2-methylpropanamide
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1-(1-adamantyl)-3-(4-tert-butylphenyl)urea
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N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide
CID 4660551
N-(1-adamantyl)-N'-methyl-N'-phenyloxamide
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(1R)-1-(1-adamantyl)-1-phenylethanol
CID 7116226
N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide
CID 3328396
N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide
CID 137482576
1-(4-tert-butyl-1-adamantyl)-3-phenylurea
CID 134204473
N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide
CID 146122763
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CID 79810373

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2,2-diphenylpropanamide?
The IUPAC name of N-(1-adamantyl)-2,2-diphenylpropanamide (CID 10737199) is N-(1-adamantyl)-2,2-diphenylpropanamide.
What is the SMILES notation for N-(1-adamantyl)-2,2-diphenylpropanamide?
The canonical SMILES for N-(1-adamantyl)-2,2-diphenylpropanamide is CC(C(=O)NC12CC3CC(CC(C3)C1)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-adamantyl)-2,2-diphenylpropanamide?
The InChIKey is ZZTPOPSIKVJAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-24(21-8-4-2-5-9-21,22-10-6-3-7-11-22)23(27)26-25-15-18-12-19(16-25)14-20(13-18)17-25/h2-11,18-20H,12-17H2,1H3,(H,26,27).
What are the key properties of N-(1-adamantyl)-2,2-diphenylpropanamide?
N-(1-adamantyl)-2,2-diphenylpropanamide has a molecular weight of 359.51 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2,2-diphenylpropanamide is sourced from PubChem (CID 10737199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).