(2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide

C18H21N3O2 — CID 97347694

IUPAC(2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)N[C@@H](c1nccc(C)n1)C1CC1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-12-10-11-19-17(20-12)15(13-8-9-13)21-18(22)16(23-2)14-6-4-3-5-7-14/h3-7,10-11,13,15-16H,8-9H2,1-2H3,(H,21,22)/t15-,16-/m1/s1
InChIKeyFEWXOUSFZQGPBK-HZPDHXFCSA-N
MW311.39 g/mol
LogP2.74
Rot. Bonds6

About (2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide

(2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide (PubChem CID 97347694) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide
PubChem CID97347694
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)N[C@@H](c1nccc(C)n1)C1CC1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-12-10-11-19-17(20-12)15(13-8-9-13)21-18(22)16(23-2)14-6-4-3-5-7-14/h3-7,10-11,13,15-16H,8-9H2,1-2H3,(H,21,22)/t15-,16-/m1/s1
InChIKeyFEWXOUSFZQGPBK-HZPDHXFCSA-N
XLogP2.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide (CID 97347694) is (2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide is CO[C@@H](C(=O)N[C@@H](c1nccc(C)n1)C1CC1)c1ccccc1.
What is the InChIKey of (2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The InChIKey is FEWXOUSFZQGPBK-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-10-11-19-17(20-12)15(13-8-9-13)21-18(22)16(23-2)14-6-4-3-5-7-14/h3-7,10-11,13,15-16H,8-9H2,1-2H3,(H,21,22)/t15-,16-/m1/s1.
What are the key properties of (2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide?
(2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide has a molecular weight of 311.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 97347694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).