N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide

C19H31NO — CID 2961776

IUPACN-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)C1CCCCC1
InChIInChI=1S/C19H31NO/c21-18(17-4-2-1-3-5-17)20-7-6-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-17H,1-13H2,(H,20,21)
InChIKeyPBBJAYJFHDVRRX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.29
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide

N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide (PubChem CID 2961776) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide
PubChem CID2961776
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)C1CCCCC1
InChIInChI=1S/C19H31NO/c21-18(17-4-2-1-3-5-17)20-7-6-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-17H,1-13H2,(H,20,21)
InChIKeyPBBJAYJFHDVRRX-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide (CID 2961776) is N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)C1CCCCC1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide?
The InChIKey is PBBJAYJFHDVRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c21-18(17-4-2-1-3-5-17)20-7-6-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-17H,1-13H2,(H,20,21).
What are the key properties of N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide?
N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide has a molecular weight of 289.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2961776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).