2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide

C10H17N3O2 — CID 4122977

IUPAC2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCOCC(=O)NCCCn1ccnc1
InChIInChI=1S/C10H17N3O2/c1-2-15-8-10(14)12-4-3-6-13-7-5-11-9-13/h5,7,9H,2-4,6,8H2,1H3,(H,12,14)
InChIKeyCNKOAVRIODMDAJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.43
Rot. Bonds7

About 2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide

2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 4122977) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID4122977
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCOCC(=O)NCCCn1ccnc1
InChIInChI=1S/C10H17N3O2/c1-2-15-8-10(14)12-4-3-6-13-7-5-11-9-13/h5,7,9H,2-4,6,8H2,1H3,(H,12,14)
InChIKeyCNKOAVRIODMDAJ-UHFFFAOYSA-N
XLogP0.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.43
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-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
2,2-dimethylpropyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127044791
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
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
1-[6-[(Dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-ethoxyethanone
CID 118739501
Acetamide, N-(3-imidazol-1-ylpropyl)-2-methoxy-
CID 3148030
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
1-(2-methoxyethyl)-3-(2-(2-methyl-1H-imidazol-1-yl)ethyl)urea
CID 49670915

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide (CID 4122977) is 2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide is CCOCC(=O)NCCCn1ccnc1.
What is the InChIKey of 2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is CNKOAVRIODMDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-15-8-10(14)12-4-3-6-13-7-5-11-9-13/h5,7,9H,2-4,6,8H2,1H3,(H,12,14).
What are the key properties of 2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide?
2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 211.26 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 4122977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).