3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

C12H21N3O3 — CID 135094045

IUPAC3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
SMILESCCOCCC(=O)N(CCO)Cc1cnc(C)[nH]1
InChIInChI=1S/C12H21N3O3/c1-3-18-7-4-12(17)15(5-6-16)9-11-8-13-10(2)14-11/h8,16H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyMQCUZCXYJIPTJJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.47
Rot. Bonds8

About 3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide (PubChem CID 135094045) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
PubChem CID135094045
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
SMILESCCOCCC(=O)N(CCO)Cc1cnc(C)[nH]1
InChIInChI=1S/C12H21N3O3/c1-3-18-7-4-12(17)15(5-6-16)9-11-8-13-10(2)14-11/h8,16H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyMQCUZCXYJIPTJJ-UHFFFAOYSA-N
XLogP0.47
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide
CID 135108638
3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
CID 135100113
N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide
CID 135090545
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]acetamide
CID 135106203
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide
CID 135112894
N,N-diethyl-3-(2-methyl-1H-imidazol-5-yl)propanamide
CID 173265047
N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide
CID 135120142
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide
CID 135115054
2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
CID 135109608
N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide
CID 135105886
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 135089392
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 135093344

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The IUPAC name of 3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide (CID 135094045) is 3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide is CCOCCC(=O)N(CCO)Cc1cnc(C)[nH]1.
What is the InChIKey of 3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The InChIKey is MQCUZCXYJIPTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-18-7-4-12(17)15(5-6-16)9-11-8-13-10(2)14-11/h8,16H,3-7,9H2,1-2H3,(H,13,14).
What are the key properties of 3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide has a molecular weight of 255.32 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 135094045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).