3-phenyl-6-propylideneadamantane-1-carboxamide

C20H25NO — CID 166909043

IUPAC3-phenyl-6-propylideneadamantane-1-carboxamide
SMILESCCC=C1C2CC3(C(N)=O)CC1CC(c1ccccc1)(C2)C3
InChIInChI=1S/C20H25NO/c1-2-6-17-14-9-19(16-7-4-3-5-8-16)10-15(17)12-20(11-14,13-19)18(21)22/h3-8,14-15H,2,9-13H2,1H3,(H2,21,22)/b17-6-
InChIKeyNXNXMJHUADLBMK-FMQZQXMHSA-N
MW295.43 g/mol
LogP3.96
Rot. Bonds3

About 3-phenyl-6-propylideneadamantane-1-carboxamide

3-phenyl-6-propylideneadamantane-1-carboxamide (PubChem CID 166909043) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-phenyl-6-propylideneadamantane-1-carboxamide.

Molecular Properties

Compound Name3-phenyl-6-propylideneadamantane-1-carboxamide
PubChem CID166909043
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name3-phenyl-6-propylideneadamantane-1-carboxamide
SMILESCCC=C1C2CC3(C(N)=O)CC1CC(c1ccccc1)(C2)C3
InChIInChI=1S/C20H25NO/c1-2-6-17-14-9-19(16-7-4-3-5-8-16)10-15(17)12-20(11-14,13-19)18(21)22/h3-8,14-15H,2,9-13H2,1H3,(H2,21,22)/b17-6-
InChIKeyNXNXMJHUADLBMK-FMQZQXMHSA-N
XLogP3.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.96
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 3-phenyl-6-propylideneadamantane-1-carboxamide?
The IUPAC name of 3-phenyl-6-propylideneadamantane-1-carboxamide (CID 166909043) is 3-phenyl-6-propylideneadamantane-1-carboxamide.
What is the SMILES notation for 3-phenyl-6-propylideneadamantane-1-carboxamide?
The canonical SMILES for 3-phenyl-6-propylideneadamantane-1-carboxamide is CCC=C1C2CC3(C(N)=O)CC1CC(c1ccccc1)(C2)C3.
What is the InChIKey of 3-phenyl-6-propylideneadamantane-1-carboxamide?
The InChIKey is NXNXMJHUADLBMK-FMQZQXMHSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-6-17-14-9-19(16-7-4-3-5-8-16)10-15(17)12-20(11-14,13-19)18(21)22/h3-8,14-15H,2,9-13H2,1H3,(H2,21,22)/b17-6-.
What are the key properties of 3-phenyl-6-propylideneadamantane-1-carboxamide?
3-phenyl-6-propylideneadamantane-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-propylideneadamantane-1-carboxamide is sourced from PubChem (CID 166909043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).