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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Related Compounds

6-benzylidene-3-phenyladamantane-1-carboxamide
CID 162754646
molecular hydrogen;(6Z)-3-phenyl-6-propylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
CID 162525571
(6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
CID 162525467
(6E)-3,7-dimethyl-1-phenyl-6-propylidenebicyclo[3.3.1]nonane-3-carboxylic acid
CID 162525699
(6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 162525990
(6Z)-3-phenyl-6-propylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carbothioamide
CID 162754737
N-(4-aminocyclohexyl)-3-phenyl-6-(3,3,3-trifluoropropylidene)adamantane-1-carboxamide
CID 162525365
methyl 6-methylidene-3-phenyladamantane-1-carboxylate
CID 162754718
azane;deuterioethane;methane;3-phenyladamantane-1-carboxamide;3-phenyladamantane-1-carboxylic acid
CID 158928866
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137435862
N-[4-(aminomethyl)cyclohexyl]-6-(cyclopropylmethylidene)-3-phenyladamantane-1-carboxamide
CID 175627195
6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen
CID 142519943

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).