N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide

C22H31NO — CID 137482576

IUPACN-(4-tert-butyl-1-adamantyl)-2-phenylacetamide
SMILESCC(C)(C)C1C2CC3CC1CC(NC(=O)Cc1ccccc1)(C3)C2
InChIInChI=1S/C22H31NO/c1-21(2,3)20-17-9-16-10-18(20)14-22(12-16,13-17)23-19(24)11-15-7-5-4-6-8-15/h4-8,16-18,20H,9-14H2,1-3H3,(H,23,24)
InChIKeyJEMSYEVLHPRUDG-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.59
Rot. Bonds3

About N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide

N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide (PubChem CID 137482576) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1-adamantyl)-2-phenylacetamide
PubChem CID137482576
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC NameN-(4-tert-butyl-1-adamantyl)-2-phenylacetamide
SMILESCC(C)(C)C1C2CC3CC1CC(NC(=O)Cc1ccccc1)(C3)C2
InChIInChI=1S/C22H31NO/c1-21(2,3)20-17-9-16-10-18(20)14-22(12-16,13-17)23-19(24)11-15-7-5-4-6-8-15/h4-8,16-18,20H,9-14H2,1-3H3,(H,23,24)
InChIKeyJEMSYEVLHPRUDG-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butyl-1-adamantyl)-3-phenylurea
CID 134204473
[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663
1-(4-tert-butyl-1-adamantyl)-3-(4-methylphenyl)urea
CID 134195294
N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
2-(1-adamantyl)-2-[(2-phenylacetyl)amino]propanoate
CID 57366241
N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide
CID 70948173
N-(4-tert-butyl-1-adamantyl)-1-phenylethanesulfonamide
CID 137482599
[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 42902130
benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride
CID 66863334
N-(1-adamantyl)-2,2-diphenylpropanamide
CID 10737199
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624
3-(1-adamantyl)-1-benzyl-1-ethylurea
CID 108896014

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide?
The IUPAC name of N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide (CID 137482576) is N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide?
The canonical SMILES for N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide is CC(C)(C)C1C2CC3CC1CC(NC(=O)Cc1ccccc1)(C3)C2.
What is the InChIKey of N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide?
The InChIKey is JEMSYEVLHPRUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-21(2,3)20-17-9-16-10-18(20)14-22(12-16,13-17)23-19(24)11-15-7-5-4-6-8-15/h4-8,16-18,20H,9-14H2,1-3H3,(H,23,24).
What are the key properties of N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide?
N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide has a molecular weight of 325.50 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide is sourced from PubChem (CID 137482576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).