N-(1-adamantyl)adamantane-1-carboxamide

C21H31NO — CID 5137726

IUPACN-(1-adamantyl)adamantane-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31NO/c23-19(20-7-13-1-14(8-20)3-15(2-13)9-20)22-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H,22,23)
InChIKeyQQKCCOMZCCBHSY-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.29
Rot. Bonds2

About N-(1-adamantyl)adamantane-1-carboxamide

N-(1-adamantyl)adamantane-1-carboxamide (PubChem CID 5137726) has the molecular formula C21H31NO and a molecular weight of 313.49 g/mol. Its IUPAC name is N-(1-adamantyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)adamantane-1-carboxamide
PubChem CID5137726
Molecular FormulaC21H31NO
Molecular Weight313.49 g/mol
Exact Mass313.24
IUPAC NameN-(1-adamantyl)adamantane-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31NO/c23-19(20-7-13-1-14(8-20)3-15(2-13)9-20)22-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H,22,23)
InChIKeyQQKCCOMZCCBHSY-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)adamantane-1-carboxamide?
The IUPAC name of N-(1-adamantyl)adamantane-1-carboxamide (CID 5137726) is N-(1-adamantyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)adamantane-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)adamantane-1-carboxamide?
The InChIKey is QQKCCOMZCCBHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO/c23-19(20-7-13-1-14(8-20)3-15(2-13)9-20)22-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H,22,23).
What are the key properties of N-(1-adamantyl)adamantane-1-carboxamide?
N-(1-adamantyl)adamantane-1-carboxamide has a molecular weight of 313.49 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)adamantane-1-carboxamide is sourced from PubChem (CID 5137726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).