(2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide

C17H21N3O2 — CID 94391575

IUPAC(2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
SMILESC[C@@H](OCC1CC1)C(=O)NCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H21N3O2/c1-12(22-11-13-7-8-13)17(21)19-10-16-18-9-15(20-16)14-5-3-2-4-6-14/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,18,20)(H,19,21)/t12-/m1/s1
InChIKeyLXKLXOZURGPFMZ-GFCCVEGCSA-N
MW299.37 g/mol
LogP2.51
Rot. Bonds7

About (2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide

(2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide (PubChem CID 94391575) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
PubChem CID94391575
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
SMILESC[C@@H](OCC1CC1)C(=O)NCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H21N3O2/c1-12(22-11-13-7-8-13)17(21)19-10-16-18-9-15(20-16)14-5-3-2-4-6-14/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,18,20)(H,19,21)/t12-/m1/s1
InChIKeyLXKLXOZURGPFMZ-GFCCVEGCSA-N
XLogP2.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide (CID 94391575) is (2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide is C[C@@H](OCC1CC1)C(=O)NCc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of (2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide?
The InChIKey is LXKLXOZURGPFMZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(22-11-13-7-8-13)17(21)19-10-16-18-9-15(20-16)14-5-3-2-4-6-14/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,18,20)(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide?
(2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide has a molecular weight of 299.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 94391575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).