2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C17H28N4O2 — CID 30704696

IUPAC2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1nccn1CC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H28N4O2/c1-15-18-7-8-20(15)13-16(22)19-14-17(5-3-2-4-6-17)21-9-11-23-12-10-21/h7-8H,2-6,9-14H2,1H3,(H,19,22)
InChIKeyQYTCHRFXCWUHLO-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.34
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 30704696) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID30704696
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1nccn1CC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H28N4O2/c1-15-18-7-8-20(15)13-16(22)19-14-17(5-3-2-4-6-17)21-9-11-23-12-10-21/h7-8H,2-6,9-14H2,1H3,(H,19,22)
InChIKeyQYTCHRFXCWUHLO-UHFFFAOYSA-N
XLogP1.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 30704696) is 2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is Cc1nccn1CC(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is QYTCHRFXCWUHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-15-18-7-8-20(15)13-16(22)19-14-17(5-3-2-4-6-17)21-9-11-23-12-10-21/h7-8H,2-6,9-14H2,1H3,(H,19,22).
What are the key properties of 2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 320.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 30704696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).