N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide

C18H26N2O2 — CID 108516835

IUPACN-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O2/c1-3-5-20(6-4-2)17(22)16(21)19-18-10-13-7-14(11-18)9-15(8-13)12-18/h3-4,13-15H,1-2,5-12H2,(H,19,21)
InChIKeyOEMPUVSANOVIBY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.27
Rot. Bonds5

About N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide

N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide (PubChem CID 108516835) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide
PubChem CID108516835
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O2/c1-3-5-20(6-4-2)17(22)16(21)19-18-10-13-7-14(11-18)9-15(8-13)12-18/h3-4,13-15H,1-2,5-12H2,(H,19,21)
InChIKeyOEMPUVSANOVIBY-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(adamantan-1-yl)-2-(2-oxo-1,2-dihydropyridin-1-yl)acetamide
CID 17480620
N-(1-adamantyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 32828141
Cambridge id 6106349
CID 2886171
N~1~-1-adamantyl-N~2~-allylglycinamide hydrochloride
CID 2886172
N~1~-1-adamantyl-N~2~,N~2~-diethylglycinamide hydrochloride
CID 64202
[2-(1-Adamantylamino)-2-oxoethyl]-diethyl-methylazanium
CID 64206
N-(2-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride
CID 2942203
N-(1-adamantyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807395
2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 27651341
N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide
CID 58186022
N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide
CID 58186045
N-[2-[methyl-(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide
CID 58186153

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide?
The IUPAC name of N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide (CID 108516835) is N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide.
What is the SMILES notation for N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide?
The canonical SMILES for N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide is C=CCN(CC=C)C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide?
The InChIKey is OEMPUVSANOVIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-5-20(6-4-2)17(22)16(21)19-18-10-13-7-14(11-18)9-15(8-13)12-18/h3-4,13-15H,1-2,5-12H2,(H,19,21).
What are the key properties of N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide?
N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide has a molecular weight of 302.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide is sourced from PubChem (CID 108516835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).