N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide

C24H37NO — CID 171577250

IUPACN-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NC14CC5CC(CC(C5)C1)C4)(C2)C3
InChIInChI=1S/C24H37NO/c1-20-10-21(2)12-22(3,11-20)15-23(13-20,14-21)19(26)25-24-7-16-4-17(8-24)6-18(5-16)9-24/h16-18H,4-15H2,1-3H3,(H,25,26)
InChIKeyDJSUSVBNWWGTBK-UHFFFAOYSA-N
MW355.57 g/mol
LogP5.46
Rot. Bonds2

About N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide

N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide (PubChem CID 171577250) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide
PubChem CID171577250
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC NameN-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NC14CC5CC(CC(C5)C1)C4)(C2)C3
InChIInChI=1S/C24H37NO/c1-20-10-21(2)12-22(3,11-20)15-23(13-20,14-21)19(26)25-24-7-16-4-17(8-24)6-18(5-16)9-24/h16-18H,4-15H2,1-3H3,(H,25,26)
InChIKeyDJSUSVBNWWGTBK-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide (CID 171577250) is N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide is CC12CC3(C)CC(C)(C1)CC(C(=O)NC14CC5CC(CC(C5)C1)C4)(C2)C3.
What is the InChIKey of N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide?
The InChIKey is DJSUSVBNWWGTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO/c1-20-10-21(2)12-22(3,11-20)15-23(13-20,14-21)19(26)25-24-7-16-4-17(8-24)6-18(5-16)9-24/h16-18H,4-15H2,1-3H3,(H,25,26).
What are the key properties of N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide?
N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide has a molecular weight of 355.57 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3,5,7-trimethyladamantane-1-carboxamide is sourced from PubChem (CID 171577250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).