N-(2-adamantyl)cyclopropanecarboxamide

C14H21NO — CID 883585

IUPACN-(2-adamantyl)cyclopropanecarboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CC1
InChIInChI=1S/C14H21NO/c16-14(10-1-2-10)15-13-11-4-8-3-9(6-11)7-12(13)5-8/h8-13H,1-7H2,(H,15,16)
InChIKeyHUQCVXVIHFKLMH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.34
Rot. Bonds2

About N-(2-adamantyl)cyclopropanecarboxamide

N-(2-adamantyl)cyclopropanecarboxamide (PubChem CID 883585) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-adamantyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)cyclopropanecarboxamide
PubChem CID883585
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2-adamantyl)cyclopropanecarboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CC1
InChIInChI=1S/C14H21NO/c16-14(10-1-2-10)15-13-11-4-8-3-9(6-11)7-12(13)5-8/h8-13H,1-7H2,(H,15,16)
InChIKeyHUQCVXVIHFKLMH-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-adamantyl)cyclopropanecarboxamide (CID 883585) is N-(2-adamantyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-adamantyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-adamantyl)cyclopropanecarboxamide is O=C(NC1C2CC3CC(C2)CC1C3)C1CC1.
What is the InChIKey of N-(2-adamantyl)cyclopropanecarboxamide?
The InChIKey is HUQCVXVIHFKLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-14(10-1-2-10)15-13-11-4-8-3-9(6-11)7-12(13)5-8/h8-13H,1-7H2,(H,15,16).
What are the key properties of N-(2-adamantyl)cyclopropanecarboxamide?
N-(2-adamantyl)cyclopropanecarboxamide has a molecular weight of 219.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)cyclopropanecarboxamide is sourced from PubChem (CID 883585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).