N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide

C22H34N2O — CID 163438818

IUPACN-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide
SMILESC=CC1CC(C)C12CCN(C(=O)NC13CC4CC(CC(C4)C1)C3)CC2
InChIInChI=1S/C22H34N2O/c1-3-19-8-15(2)22(19)4-6-24(7-5-22)20(25)23-21-12-16-9-17(13-21)11-18(10-16)14-21/h3,15-19H,1,4-14H2,2H3,(H,23,25)
InChIKeyAWUIFAIPJUJTTB-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.59
Rot. Bonds2

About N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide

N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 163438818) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID163438818
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC NameN-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide
SMILESC=CC1CC(C)C12CCN(C(=O)NC13CC4CC(CC(C4)C1)C3)CC2
InChIInChI=1S/C22H34N2O/c1-3-19-8-15(2)22(19)4-6-24(7-5-22)20(25)23-21-12-16-9-17(13-21)11-18(10-16)14-21/h3,15-19H,1,4-14H2,2H3,(H,23,25)
InChIKeyAWUIFAIPJUJTTB-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.59
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

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CID 5141458
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N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide
CID 108895998
[2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium
CID 7440921
N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165113
N-(1-adamantyl)-2-methylpiperidine-1-carboxamide
CID 2981068
N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride
CID 154904087
N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 7126890
N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 19293511
8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide
CID 4553663
N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 46275369
N-(1-adamantyl)-4-(benzenesulfonyl)piperazine-1-carboxamide
CID 108896114

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide (CID 163438818) is N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide is C=CC1CC(C)C12CCN(C(=O)NC13CC4CC(CC(C4)C1)C3)CC2.
What is the InChIKey of N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is AWUIFAIPJUJTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-3-19-8-15(2)22(19)4-6-24(7-5-22)20(25)23-21-12-16-9-17(13-21)11-18(10-16)14-21/h3,15-19H,1,4-14H2,2H3,(H,23,25).
What are the key properties of N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide?
N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 342.53 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 163438818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).