(2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide

C18H25N3O2 — CID 86785495

IUPAC(2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCO[C@@H](C(=O)N(C)Cc1cn(C)nc1C(C)C)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-13(2)16-15(12-21(4)19-16)11-20(3)18(22)17(23-5)14-9-7-6-8-10-14/h6-10,12-13,17H,11H2,1-5H3/t17-/m1/s1
InChIKeyJPJBJRABQQMTJZ-QGZVFWFLSA-N
MW315.42 g/mol
LogP2.89
Rot. Bonds6

About (2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide

(2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide (PubChem CID 86785495) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide
PubChem CID86785495
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCO[C@@H](C(=O)N(C)Cc1cn(C)nc1C(C)C)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-13(2)16-15(12-21(4)19-16)11-20(3)18(22)17(23-5)14-9-7-6-8-10-14/h6-10,12-13,17H,11H2,1-5H3/t17-/m1/s1
InChIKeyJPJBJRABQQMTJZ-QGZVFWFLSA-N
XLogP2.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide (CID 86785495) is (2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide is CO[C@@H](C(=O)N(C)Cc1cn(C)nc1C(C)C)c1ccccc1.
What is the InChIKey of (2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide?
The InChIKey is JPJBJRABQQMTJZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)16-15(12-21(4)19-16)11-20(3)18(22)17(23-5)14-9-7-6-8-10-14/h6-10,12-13,17H,11H2,1-5H3/t17-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide?
(2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide has a molecular weight of 315.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 86785495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).