N-(2-imidazol-1-ylethyl)-2-methoxyacetamide

C8H13N3O2 — CID 60724975

IUPACN-(2-imidazol-1-ylethyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCn1ccnc1
InChIInChI=1S/C8H13N3O2/c1-13-6-8(12)10-3-5-11-4-2-9-7-11/h2,4,7H,3,5-6H2,1H3,(H,10,12)
InChIKeyXVZNCWADZXMCIR-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.35
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-2-methoxyacetamide

N-(2-imidazol-1-ylethyl)-2-methoxyacetamide (PubChem CID 60724975) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-methoxyacetamide
PubChem CID60724975
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(2-imidazol-1-ylethyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCn1ccnc1
InChIInChI=1S/C8H13N3O2/c1-13-6-8(12)10-3-5-11-4-2-9-7-11/h2,4,7H,3,5-6H2,1H3,(H,10,12)
InChIKeyXVZNCWADZXMCIR-UHFFFAOYSA-N
XLogP-0.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide
CID 103716164
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide
CID 103155624
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
2-imidazol-1-ylethylurea
CID 61061185
2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
CID 62476777
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate
CID 116654702
6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
CID 61325108
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 103429654
2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537
2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 62836681

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-methoxyacetamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-methoxyacetamide (CID 60724975) is N-(2-imidazol-1-ylethyl)-2-methoxyacetamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-methoxyacetamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-methoxyacetamide is COCC(=O)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-methoxyacetamide?
The InChIKey is XVZNCWADZXMCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-6-8(12)10-3-5-11-4-2-9-7-11/h2,4,7H,3,5-6H2,1H3,(H,10,12).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-methoxyacetamide?
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide has a molecular weight of 183.21 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-methoxyacetamide is sourced from PubChem (CID 60724975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).