N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide

C9H15N3O2 — CID 115668473

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C9H15N3O2/c1-14-7-3-9(13)12-4-2-8-10-5-6-11-8/h5-6H,2-4,7H2,1H3,(H,10,11)(H,12,13)
InChIKeyXIVQNLLXMGJEJH-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.10
Rot. Bonds6

About N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide

N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide (PubChem CID 115668473) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
PubChem CID115668473
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C9H15N3O2/c1-14-7-3-9(13)12-4-2-8-10-5-6-11-8/h5-6H,2-4,7H2,1H3,(H,10,11)(H,12,13)
InChIKeyXIVQNLLXMGJEJH-UHFFFAOYSA-N
XLogP0.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
CID 115620196
3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115668421
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
CID 115649646
7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide
CID 113267585
N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 115668506
N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 115620121
N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115620229
2-(4-acetamidophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115620125
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115668455
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
CID 115670758
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide (CID 115668473) is N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide is COCCC(=O)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide?
The InChIKey is XIVQNLLXMGJEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-14-7-3-9(13)12-4-2-8-10-5-6-11-8/h5-6H,2-4,7H2,1H3,(H,10,11)(H,12,13).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide?
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide has a molecular weight of 197.24 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 115668473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).