N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide

C19H29NO — CID 2933910

IUPACN-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29NO/c21-18(20-7-6-14-4-2-1-3-5-14)19-11-15-8-16(12-19)10-17(9-15)13-19/h4,15-17H,1-3,5-13H2,(H,20,21)
InChIKeyBUOCNZRWTVUHKZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.21
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide (PubChem CID 2933910) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide
PubChem CID2933910
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29NO/c21-18(20-7-6-14-4-2-1-3-5-14)19-11-15-8-16(12-19)10-17(9-15)13-19/h4,15-17H,1-3,5-13H2,(H,20,21)
InChIKeyBUOCNZRWTVUHKZ-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide (CID 2933910) is N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide is O=C(NCCC1=CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is BUOCNZRWTVUHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c21-18(20-7-6-14-4-2-1-3-5-14)19-11-15-8-16(12-19)10-17(9-15)13-19/h4,15-17H,1-3,5-13H2,(H,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 287.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 2933910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).