2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide

C10H15N3O3 — CID 62222811

IUPAC2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1ccnc1C=O
InChIInChI=1S/C10H15N3O3/c1-16-6-2-3-12-10(15)7-13-5-4-11-9(13)8-14/h4-5,8H,2-3,6-7H2,1H3,(H,12,15)
InChIKeyBWOBWGAJOISQTQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.15
Rot. Bonds7

About 2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide

2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 62222811) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide
PubChem CID62222811
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1ccnc1C=O
InChIInChI=1S/C10H15N3O3/c1-16-6-2-3-12-10(15)7-13-5-4-11-9(13)8-14/h4-5,8H,2-3,6-7H2,1H3,(H,12,15)
InChIKeyBWOBWGAJOISQTQ-UHFFFAOYSA-N
XLogP-0.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide (CID 62222811) is 2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1ccnc1C=O.
What is the InChIKey of 2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is BWOBWGAJOISQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-6-2-3-12-10(15)7-13-5-4-11-9(13)8-14/h4-5,8H,2-3,6-7H2,1H3,(H,12,15).
What are the key properties of 2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide?
2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 225.25 g/mol, XLogP of -0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylimidazol-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 62222811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).