(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide

C18H23N3O4 — CID 94824353

IUPAC(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C18H23N3O4/c1-13(25-12-16-4-2-3-11-24-16)17(22)20-14-5-7-15(8-6-14)21-10-9-19-18(21)23/h5-10,13,16H,2-4,11-12H2,1H3,(H,19,23)(H,20,22)/t13-,16-/m1/s1
InChIKeyVETAWTULTIMYBS-CZUORRHYSA-N
MW345.40 g/mol
LogP2.08
Rot. Bonds6

About (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide

(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide (PubChem CID 94824353) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
PubChem CID94824353
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C18H23N3O4/c1-13(25-12-16-4-2-3-11-24-16)17(22)20-14-5-7-15(8-6-14)21-10-9-19-18(21)23/h5-10,13,16H,2-4,11-12H2,1H3,(H,19,23)(H,20,22)/t13-,16-/m1/s1
InChIKeyVETAWTULTIMYBS-CZUORRHYSA-N
XLogP2.08
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide with MolForge

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Related Compounds

4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 62637310
N-(1-ethylindol-5-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 49493559
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 94795866
N-imidazo[1,2-a]pyrimidin-6-yl-2-(oxolan-2-ylmethoxy)propanamide
CID 126832682
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
(2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 94820641
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 120566641

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide (CID 94824353) is (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide is C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
The InChIKey is VETAWTULTIMYBS-CZUORRHYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-13(25-12-16-4-2-3-11-24-16)17(22)20-14-5-7-15(8-6-14)21-10-9-19-18(21)23/h5-10,13,16H,2-4,11-12H2,1H3,(H,19,23)(H,20,22)/t13-,16-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide has a molecular weight of 345.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 94824353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).