N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide

C14H24N4O — CID 122569446

IUPACN-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
SMILESCCn1cncc1CNC(=O)N1CCCCCCC1
InChIInChI=1S/C14H24N4O/c1-2-17-12-15-10-13(17)11-16-14(19)18-8-6-4-3-5-7-9-18/h10,12H,2-9,11H2,1H3,(H,16,19)
InChIKeyJBLRDHFORBBSFD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.38
Rot. Bonds3

About N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide

N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide (PubChem CID 122569446) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
PubChem CID122569446
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
SMILESCCn1cncc1CNC(=O)N1CCCCCCC1
InChIInChI=1S/C14H24N4O/c1-2-17-12-15-10-13(17)11-16-14(19)18-8-6-4-3-5-7-9-18/h10,12H,2-9,11H2,1H3,(H,16,19)
InChIKeyJBLRDHFORBBSFD-UHFFFAOYSA-N
XLogP2.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide;formic acid
CID 154911064
(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 125445470
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide
CID 125444704
[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134710262
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
CID 66130168
(3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
CID 125442586
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide
CID 166614544
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide;dihydrochloride
CID 154911197

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide (CID 122569446) is N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide is CCn1cncc1CNC(=O)N1CCCCCCC1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide?
The InChIKey is JBLRDHFORBBSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-17-12-15-10-13(17)11-16-14(19)18-8-6-4-3-5-7-9-18/h10,12H,2-9,11H2,1H3,(H,16,19).
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide?
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide is sourced from PubChem (CID 122569446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).