3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide

C18H25N3O3 — CID 94821044

IUPAC3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
SMILESCC[C@@H](NC(=O)CCOCCOC)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H25N3O3/c1-3-15(20-17(22)9-10-24-12-11-23-2)18-19-13-16(21-18)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyRVLOZAMMYMSKCE-OAHLLOKOSA-N
MW331.42 g/mol
LogP2.70
Rot. Bonds10

About 3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide

3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide (PubChem CID 94821044) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
PubChem CID94821044
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
SMILESCC[C@@H](NC(=O)CCOCCOC)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H25N3O3/c1-3-15(20-17(22)9-10-24-12-11-23-2)18-19-13-16(21-18)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyRVLOZAMMYMSKCE-OAHLLOKOSA-N
XLogP2.70
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide (CID 94821044) is 3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide is CC[C@@H](NC(=O)CCOCCOC)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide?
The InChIKey is RVLOZAMMYMSKCE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-15(20-17(22)9-10-24-12-11-23-2)18-19-13-16(21-18)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,19,21)(H,20,22)/t15-/m1/s1.
What are the key properties of 3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide?
3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide is sourced from PubChem (CID 94821044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).