(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide

C16H18N2O2 — CID 95631182

IUPAC(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCO[C@H](C(=O)N(C)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-18(12-13-8-10-17-11-9-13)16(19)15(20-2)14-6-4-3-5-7-14/h3-11,15H,12H2,1-2H3/t15-/m0/s1
InChIKeyAXMUBLQUSDIXFH-HNNXBMFYSA-N
MW270.33 g/mol
LogP2.43
Rot. Bonds5

About (2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide

(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 95631182) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID95631182
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCO[C@H](C(=O)N(C)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-18(12-13-8-10-17-11-9-13)16(19)15(20-2)14-6-4-3-5-7-14/h3-11,15H,12H2,1-2H3/t15-/m0/s1
InChIKeyAXMUBLQUSDIXFH-HNNXBMFYSA-N
XLogP2.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631181
2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562
2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511674
methyl 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetate
CID 60777893
3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
CID 55038053
N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide
CID 60606606
2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 81080970
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 56739020
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724745
(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 94155976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of (2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide (CID 95631182) is (2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for (2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for (2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide is CO[C@H](C(=O)N(C)Cc1ccncc1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is AXMUBLQUSDIXFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(12-13-8-10-17-11-9-13)16(19)15(20-2)14-6-4-3-5-7-14/h3-11,15H,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 270.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 95631182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).