2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide

C16H27N3O2 — CID 131911826

IUPAC2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
SMILESCC(C)c1nccn1CCCNC(=O)CC1CCCOC1
InChIInChI=1S/C16H27N3O2/c1-13(2)16-18-7-9-19(16)8-4-6-17-15(20)11-14-5-3-10-21-12-14/h7,9,13-14H,3-6,8,10-12H2,1-2H3,(H,17,20)
InChIKeyONIFRIRUZRTMBE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.33
Rot. Bonds7

About 2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide

2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide (PubChem CID 131911826) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
PubChem CID131911826
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
SMILESCC(C)c1nccn1CCCNC(=O)CC1CCCOC1
InChIInChI=1S/C16H27N3O2/c1-13(2)16-18-7-9-19(16)8-4-6-17-15(20)11-14-5-3-10-21-12-14/h7,9,13-14H,3-6,8,10-12H2,1-2H3,(H,17,20)
InChIKeyONIFRIRUZRTMBE-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.33
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-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126430718
N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 62562843
3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide
CID 91762642
2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 126425334
N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
CID 119068889
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124626187
5-bromo-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pentanamide
CID 165459039
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
CID 167916960
6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95200014
formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 171710055
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
1-[4-(2-methylimidazol-1-yl)butyl]-3-(oxolan-3-ylmethyl)urea
CID 71990464

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide (CID 131911826) is 2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide is CC(C)c1nccn1CCCNC(=O)CC1CCCOC1.
What is the InChIKey of 2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide?
The InChIKey is ONIFRIRUZRTMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(2)16-18-7-9-19(16)8-4-6-17-15(20)11-14-5-3-10-21-12-14/h7,9,13-14H,3-6,8,10-12H2,1-2H3,(H,17,20).
What are the key properties of 2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide?
2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 131911826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).