N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide

C18H20N2O5 — CID 54856792

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O5/c1-13(18(22)14-6-4-3-5-7-14)19(2)17(21)12-25-16-10-8-15(9-11-16)20(23)24/h3-11,13,18,22H,12H2,1-2H3
InChIKeyOWVXESLHVZXHNC-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.55
Rot. Bonds7

About N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide (PubChem CID 54856792) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
PubChem CID54856792
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O5/c1-13(18(22)14-6-4-3-5-7-14)19(2)17(21)12-25-16-10-8-15(9-11-16)20(23)24/h3-11,13,18,22H,12H2,1-2H3
InChIKeyOWVXESLHVZXHNC-UHFFFAOYSA-N
XLogP2.55
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 112704729
N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide
CID 75872502
(3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(2-nitrophenyl)propanamide
CID 11199140
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856919
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856630
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-nitrobenzenesulfonamide
CID 7062737
2-methyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62817383
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
CID 41161668
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7770587
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide (CID 54856792) is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide is CC(C(O)c1ccccc1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide?
The InChIKey is OWVXESLHVZXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-13(18(22)14-6-4-3-5-7-14)19(2)17(21)12-25-16-10-8-15(9-11-16)20(23)24/h3-11,13,18,22H,12H2,1-2H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide has a molecular weight of 344.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 54856792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).