N-(cyclohexylmethyl)adamantane-2-carboxamide

C18H29NO — CID 55435889

IUPACN-(cyclohexylmethyl)adamantane-2-carboxamide
SMILESO=C(NCC1CCCCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO/c20-18(19-11-12-4-2-1-3-5-12)17-15-7-13-6-14(9-15)10-16(17)8-13/h12-17H,1-11H2,(H,19,20)
InChIKeyCVZBBLQCYWNZFO-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.76
Rot. Bonds3

About N-(cyclohexylmethyl)adamantane-2-carboxamide

N-(cyclohexylmethyl)adamantane-2-carboxamide (PubChem CID 55435889) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)adamantane-2-carboxamide
PubChem CID55435889
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(cyclohexylmethyl)adamantane-2-carboxamide
SMILESO=C(NCC1CCCCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO/c20-18(19-11-12-4-2-1-3-5-12)17-15-7-13-6-14(9-15)10-16(17)8-13/h12-17H,1-11H2,(H,19,20)
InChIKeyCVZBBLQCYWNZFO-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)adamantane-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)adamantane-2-carboxamide (CID 55435889) is N-(cyclohexylmethyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)adamantane-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)adamantane-2-carboxamide is O=C(NCC1CCCCC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(cyclohexylmethyl)adamantane-2-carboxamide?
The InChIKey is CVZBBLQCYWNZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c20-18(19-11-12-4-2-1-3-5-12)17-15-7-13-6-14(9-15)10-16(17)8-13/h12-17H,1-11H2,(H,19,20).
What are the key properties of N-(cyclohexylmethyl)adamantane-2-carboxamide?
N-(cyclohexylmethyl)adamantane-2-carboxamide has a molecular weight of 275.44 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)adamantane-2-carboxamide is sourced from PubChem (CID 55435889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).