N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide

C9H15N3O2 — CID 3148030

IUPACN-(3-imidazol-1-ylpropyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCCn1ccnc1
InChIInChI=1S/C9H15N3O2/c1-14-7-9(13)11-3-2-5-12-6-4-10-8-12/h4,6,8H,2-3,5,7H2,1H3,(H,11,13)
InChIKeyJYDMVJRDKPJCJR-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.04
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide

N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide (PubChem CID 3148030) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methoxyacetamide
PubChem CID3148030
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCCn1ccnc1
InChIInChI=1S/C9H15N3O2/c1-14-7-9(13)11-3-2-5-12-6-4-10-8-12/h4,6,8H,2-3,5,7H2,1H3,(H,11,13)
InChIKeyJYDMVJRDKPJCJR-UHFFFAOYSA-N
XLogP0.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.04
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-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
2,2-dimethylpropyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127044791
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
N-butyl-2-imidazol-1-yl-acetamide
CID 44139807
N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
CID 53504539
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
2-Methoxy-1-[4-(1-methyl-2-imidazolyl)-1-piperazinyl]-1-ethanone
CID 25284771
2-Ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone
CID 25284873

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide (CID 3148030) is N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide is COCC(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide?
The InChIKey is JYDMVJRDKPJCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-14-7-9(13)11-3-2-5-12-6-4-10-8-12/h4,6,8H,2-3,5,7H2,1H3,(H,11,13).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide?
N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide has a molecular weight of 197.24 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methoxyacetamide is sourced from PubChem (CID 3148030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).