N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide

C14H23N3O2 — CID 136516341

IUPACN-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCCOC2CCCCCC2)c1
InChIInChI=1S/C14H23N3O2/c1-17-10-13(16-11-17)14(18)15-8-9-19-12-6-4-2-3-5-7-12/h10-12H,2-9H2,1H3,(H,15,18)
InChIKeyJHVKYRZGQNXEHY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.89
Rot. Bonds5

About N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide

N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide (PubChem CID 136516341) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide
PubChem CID136516341
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCCOC2CCCCCC2)c1
InChIInChI=1S/C14H23N3O2/c1-17-10-13(16-11-17)14(18)15-8-9-19-12-6-4-2-3-5-7-12/h10-12H,2-9H2,1H3,(H,15,18)
InChIKeyJHVKYRZGQNXEHY-UHFFFAOYSA-N
XLogP1.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
2-[4-(2-cyclohexyloxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288158
N-(2-cyclohexyloxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 75462004
N-[(2-bromocyclohexyl)methyl]-1-methylimidazole-4-carboxamide
CID 107975123
2-amino-N-(2-cyclopentyloxyethyl)-1,3-thiazole-4-carboxamide
CID 63826341
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide
CID 122562458
cyclohexyl-(1-methylimidazol-4-yl)methanone
CID 107976351
N-(2-cyclopentyloxyethyl)-6-hydrazinylpyridazine-3-carboxamide
CID 63832738
2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63828189
5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide
CID 99775439
2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107971526

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide (CID 136516341) is N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NCCOC2CCCCCC2)c1.
What is the InChIKey of N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide?
The InChIKey is JHVKYRZGQNXEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17-10-13(16-11-17)14(18)15-8-9-19-12-6-4-2-3-5-7-12/h10-12H,2-9H2,1H3,(H,15,18).
What are the key properties of N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide?
N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 136516341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).