2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide

C17H30N4O2 — CID 86818286

IUPAC2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide
SMILESCc1nccn1CCCCNC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H30N4O2/c1-14-18-9-11-20(14)10-7-6-8-19-15(22)21-12-16(2,3)23-17(4,5)13-21/h9,11H,6-8,10,12-13H2,1-5H3,(H,19,22)
InChIKeyRTVQWIUROIRIMV-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.57
Rot. Bonds5

About 2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide

2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide (PubChem CID 86818286) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide
PubChem CID86818286
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide
SMILESCc1nccn1CCCCNC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H30N4O2/c1-14-18-9-11-20(14)10-7-6-8-19-15(22)21-12-16(2,3)23-17(4,5)13-21/h9,11H,6-8,10,12-13H2,1-5H3,(H,19,22)
InChIKeyRTVQWIUROIRIMV-UHFFFAOYSA-N
XLogP2.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.57
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

4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 47253569
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868060
3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 71868069
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 71893158
N-(2-imidazol-1-ylethyl)-3-methylmorpholine-4-carboxamide
CID 71894039
N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
CID 71894042
N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide
CID 71894161
N-(2-acetamidoethyl)-2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 72144067
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 75369810
1,1-Dimethyl-3-[8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739795
tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate
CID 75446422
tert-butyl 3-(1-methyl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 102555143

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide (CID 86818286) is 2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide is Cc1nccn1CCCCNC(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide?
The InChIKey is RTVQWIUROIRIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-14-18-9-11-20(14)10-7-6-8-19-15(22)21-12-16(2,3)23-17(4,5)13-21/h9,11H,6-8,10,12-13H2,1-5H3,(H,19,22).
What are the key properties of 2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide?
2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide is sourced from PubChem (CID 86818286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).