acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide

C18H21NO4 — CID 67863072

IUPACacetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
SMILESCC(=O)O.CN(Cc1ccccc1)C(=O)C(O)c1ccccc1
InChIInChI=1S/C16H17NO2.C2H4O2/c1-17(12-13-8-4-2-5-9-13)16(19)15(18)14-10-6-3-7-11-14;1-2(3)4/h2-11,15,18H,12H2,1H3;1H3,(H,3,4)
InChIKeyIOIRACAGCUFNCD-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.47
Rot. Bonds4

About acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide

acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide (PubChem CID 67863072) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Nameacetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
PubChem CID67863072
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Nameacetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
SMILESCC(=O)O.CN(Cc1ccccc1)C(=O)C(O)c1ccccc1
InChIInChI=1S/C16H17NO2.C2H4O2/c1-17(12-13-8-4-2-5-9-13)16(19)15(18)14-10-6-3-7-11-14;1-2(3)4/h2-11,15,18H,12H2,1H3;1H3,(H,3,4)
InChIKeyIOIRACAGCUFNCD-UHFFFAOYSA-N
XLogP2.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 110879948
N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide
CID 163377697
N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
(3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide
CID 11087866
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 115318936
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide?
The IUPAC name of acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide (CID 67863072) is acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide.
What is the SMILES notation for acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide?
The canonical SMILES for acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide is CC(=O)O.CN(Cc1ccccc1)C(=O)C(O)c1ccccc1.
What is the InChIKey of acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide?
The InChIKey is IOIRACAGCUFNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C2H4O2/c1-17(12-13-8-4-2-5-9-13)16(19)15(18)14-10-6-3-7-11-14;1-2(3)4/h2-11,15,18H,12H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide?
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide has a molecular weight of 315.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide is sourced from PubChem (CID 67863072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).