N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide

C22H33NO — CID 516778

IUPACN-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C12CCCC3CC(CCC31)C2
InChIInChI=1S/C22H33NO/c24-20(22-5-1-2-18-9-14(13-22)3-4-19(18)22)23-21-10-15-6-16(11-21)8-17(7-15)12-21/h14-19H,1-13H2,(H,23,24)
InChIKeyFGGMSMSZYGQTPF-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.68
Rot. Bonds2

About N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide

N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide (PubChem CID 516778) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide
PubChem CID516778
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC NameN-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C12CCCC3CC(CCC31)C2
InChIInChI=1S/C22H33NO/c24-20(22-5-1-2-18-9-14(13-22)3-4-19(18)22)23-21-10-15-6-16(11-21)8-17(7-15)12-21/h14-19H,1-13H2,(H,23,24)
InChIKeyFGGMSMSZYGQTPF-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide?
The IUPAC name of N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide (CID 516778) is N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C12CCCC3CC(CCC31)C2.
What is the InChIKey of N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide?
The InChIKey is FGGMSMSZYGQTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c24-20(22-5-1-2-18-9-14(13-22)3-4-19(18)22)23-21-10-15-6-16(11-21)8-17(7-15)12-21/h14-19H,1-13H2,(H,23,24).
What are the key properties of N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide?
N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide has a molecular weight of 327.51 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide is sourced from PubChem (CID 516778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).