N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide

C16H23N3O — CID 154585198

IUPACN-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)n1ccnc1
InChIInChI=1S/C16H23N3O/c20-15(19-4-3-17-11-19)18-2-1-16-8-12-5-13(9-16)7-14(6-12)10-16/h3-4,11-14H,1-2,5-10H2,(H,18,20)
InChIKeyOQOMYCBWSURDNE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.05
Rot. Bonds3

About N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide

N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide (PubChem CID 154585198) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide
PubChem CID154585198
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)n1ccnc1
InChIInChI=1S/C16H23N3O/c20-15(19-4-3-17-11-19)18-2-1-16-8-12-5-13(9-16)7-14(6-12)10-16/h3-4,11-14H,1-2,5-10H2,(H,18,20)
InChIKeyOQOMYCBWSURDNE-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Adamantylmethyl)imidazole
CID 10584844
Urea, N-[3-(1H-imidazol-1-yl)propyl]-N'-tricyclo[3.3.1.1(3,7)]dec-1-yl-
CID 5062873
N-methyl-N-[(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 71458595
N-(3-imidazol-1-ylpropyl)adamantane-1-carboxamide
CID 2886018
(3r,5r,7r)-N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)adamantane-1-carboxamide
CID 49621091
1-(1-adamantyl)-3-[3-(1H-imidazol-3-ium-3-yl)propyl]urea
CID 122707110
N-(1-adamantylcarbamoyl)-3-imidazol-1-ylpropanamide
CID 16311147
N-[1-(1-adamantyl)ethyl]-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 17536637
N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide
CID 46489552
2-(1-adamantyl)-N-[1-(1-methyl-1H-imidazol-2-yl)butyl]acetamide
CID 46986061
N-1-adamantyl-4-(1-ethyl-1H-imidazol-2-yl)-1-piperidinecarboxamide
CID 72837474
N-Tricyclo[3.3.1.13,7]dec-1-yl-1H-imidazole-1-carboxamide
CID 4502359

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide (CID 154585198) is N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)n1ccnc1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide?
The InChIKey is OQOMYCBWSURDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-15(19-4-3-17-11-19)18-2-1-16-8-12-5-13(9-16)7-14(6-12)10-16/h3-4,11-14H,1-2,5-10H2,(H,18,20).
What are the key properties of N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide?
N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 154585198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).