N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide

C13H21N3O3 — CID 77082155

IUPACN-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCCO1)NCCn1ccnc1
InChIInChI=1S/C13H21N3O3/c17-13(15-5-7-16-6-4-14-11-16)10-18-9-12-3-1-2-8-19-12/h4,6,11-12H,1-3,5,7-10H2,(H,15,17)
InChIKeyWRACNPTYWVISNI-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.58
Rot. Bonds7

About N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide

N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide (PubChem CID 77082155) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
PubChem CID77082155
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCCO1)NCCn1ccnc1
InChIInChI=1S/C13H21N3O3/c17-13(15-5-7-16-6-4-14-11-16)10-18-9-12-3-1-2-8-19-12/h4,6,11-12H,1-3,5,7-10H2,(H,15,17)
InChIKeyWRACNPTYWVISNI-UHFFFAOYSA-N
XLogP0.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 86990220
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91842896
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94018328
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
CID 115729941
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 137021866
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 90650357
2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 86284175
2-[[(2S)-oxan-2-yl]methoxy]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 99972011
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124758955
N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 100841944

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide (CID 77082155) is N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide is O=C(COCC1CCCCO1)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide?
The InChIKey is WRACNPTYWVISNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c17-13(15-5-7-16-6-4-14-11-16)10-18-9-12-3-1-2-8-19-12/h4,6,11-12H,1-3,5,7-10H2,(H,15,17).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide?
N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide is sourced from PubChem (CID 77082155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).