N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide

C19H31NO — CID 2929386

IUPACN-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NO/c1-13(20-18(21)17-5-3-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-17H,2-12H2,1H3,(H,20,21)
InChIKeyRQKSSTCPQOPDDF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.29
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide

N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide (PubChem CID 2929386) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide
PubChem CID2929386
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NO/c1-13(20-18(21)17-5-3-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-17H,2-12H2,1H3,(H,20,21)
InChIKeyRQKSSTCPQOPDDF-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
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-(1-adamantyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide (CID 2929386) is N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide?
The InChIKey is RQKSSTCPQOPDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13(20-18(21)17-5-3-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h13-17H,2-12H2,1H3,(H,20,21).
What are the key properties of N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide?
N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide has a molecular weight of 289.46 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2929386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).