2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide

C22H30N4O2 — CID 92589416

IUPAC2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide
SMILESCCc1nccn1CC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2
InChIInChI=1S/C22H30N4O2/c1-3-20-24-12-13-26(20)15-21(27)25(2)18-8-10-22(11-9-18)16-23-14-17-6-4-5-7-19(17)28-22/h4-7,12-13,18,23H,3,8-11,14-16H2,1-2H3
InChIKeyNRHJDJFQQZVERP-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.77
Rot. Bonds4

About 2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide

2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide (PubChem CID 92589416) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide
PubChem CID92589416
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide
SMILESCCc1nccn1CC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2
InChIInChI=1S/C22H30N4O2/c1-3-20-24-12-13-26(20)15-21(27)25(2)18-8-10-22(11-9-18)16-23-14-17-6-4-5-7-19(17)28-22/h4-7,12-13,18,23H,3,8-11,14-16H2,1-2H3
InChIKeyNRHJDJFQQZVERP-UHFFFAOYSA-N
XLogP2.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide (CID 92589416) is 2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide is CCc1nccn1CC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide?
The InChIKey is NRHJDJFQQZVERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-20-24-12-13-26(20)15-21(27)25(2)18-8-10-22(11-9-18)16-23-14-17-6-4-5-7-19(17)28-22/h4-7,12-13,18,23H,3,8-11,14-16H2,1-2H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide?
2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide has a molecular weight of 382.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-ylacetamide is sourced from PubChem (CID 92589416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).