3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide

C17H23N3O2 — CID 136560243

IUPAC3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
SMILESCOCC(C)(C)C(=O)NCCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H23N3O2/c1-17(2,12-22-3)16(21)18-10-9-15-19-11-14(20-15)13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyUBJMUYBXBSVDRH-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.41
Rot. Bonds7

About 3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide

3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide (PubChem CID 136560243) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
PubChem CID136560243
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
SMILESCOCC(C)(C)C(=O)NCCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H23N3O2/c1-17(2,12-22-3)16(21)18-10-9-15-19-11-14(20-15)13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyUBJMUYBXBSVDRH-UHFFFAOYSA-N
XLogP2.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-phenyl-1H-imidazole
CID 70012
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
Benzyl-methyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10802230
methyl[(4-phenyl-1H-imidazol-2-yl)methyl]amine
CID 24971325
2-Methyl-4-Phenyl-1H-Imidazole
CID 594112
Ac-Leu-Leu-Leu-His-Arg-Val-Lys-NHBn(4-amidino)
CID 137647032
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylacetamide
CID 8030296
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
CID 5084113
5-(4-fluorophenyl)-2-undecan-6-yl-1H-imidazole
CID 9836594
5-(4-fluorophenyl)-2-heptan-4-yl-1H-imidazole
CID 9899906
butyl N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]carbamate
CID 9902686

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide (CID 136560243) is 3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide is COCC(C)(C)C(=O)NCCc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The InChIKey is UBJMUYBXBSVDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,12-22-3)16(21)18-10-9-15-19-11-14(20-15)13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 136560243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).