(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide

C18H23N3O3 — CID 128994960

IUPAC(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide
SMILESCO[C@@H](C(=O)NC1CCOC(c2cncn2C)C1)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-21-12-19-11-15(21)16-10-14(8-9-24-16)20-18(22)17(23-2)13-6-4-3-5-7-13/h3-7,11-12,14,16-17H,8-10H2,1-2H3,(H,20,22)/t14?,16?,17-/m1/s1
InChIKeyCWZPMACDUZLLLW-BDVYOWHSSA-N
MW329.40 g/mol
LogP2.14
Rot. Bonds5

About (2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide

(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide (PubChem CID 128994960) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide
PubChem CID128994960
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide
SMILESCO[C@@H](C(=O)NC1CCOC(c2cncn2C)C1)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-21-12-19-11-15(21)16-10-14(8-9-24-16)20-18(22)17(23-2)13-6-4-3-5-7-13/h3-7,11-12,14,16-17H,8-10H2,1-2H3,(H,20,22)/t14?,16?,17-/m1/s1
InChIKeyCWZPMACDUZLLLW-BDVYOWHSSA-N
XLogP2.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129472375
2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide
CID 129350445
2-(dimethylamino)-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pentanamide
CID 154739480
(2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129473318
2-ethoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-carboxamide
CID 129337436
2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide
CID 129492339
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
CID 129476958
1-(5-fluoro-2-pyridinyl)-3-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477020
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide (CID 128994960) is (2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide is CO[C@@H](C(=O)NC1CCOC(c2cncn2C)C1)c1ccccc1.
What is the InChIKey of (2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide?
The InChIKey is CWZPMACDUZLLLW-BDVYOWHSSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-21-12-19-11-15(21)16-10-14(8-9-24-16)20-18(22)17(23-2)13-6-4-3-5-7-13/h3-7,11-12,14,16-17H,8-10H2,1-2H3,(H,20,22)/t14?,16?,17-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide?
(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide has a molecular weight of 329.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide is sourced from PubChem (CID 128994960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).