N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide

C18H20N2O6 — CID 3885811

IUPACN-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide
SMILESCOc1ccccc1OCC(O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O6/c1-12-7-8-13(9-15(12)20(23)24)18(22)19-10-14(21)11-26-17-6-4-3-5-16(17)25-2/h3-9,14,21H,10-11H2,1-2H3,(H,19,22)
InChIKeyZXIWOUSPHXDEPD-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.08
Rot. Bonds8

About N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide

N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide (PubChem CID 3885811) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide
PubChem CID3885811
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide
SMILESCOc1ccccc1OCC(O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O6/c1-12-7-8-13(9-15(12)20(23)24)18(22)19-10-14(21)11-26-17-6-4-3-5-16(17)25-2/h3-9,14,21H,10-11H2,1-2H3,(H,19,22)
InChIKeyZXIWOUSPHXDEPD-UHFFFAOYSA-N
XLogP2.08
TPSA110.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-4-methyl-3-nitrobenzamide
CID 94819249
N-[4-(2-methoxyphenoxy)but-2-ynyl]-4-methyl-3-nitrobenzamide
CID 90575574
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide
CID 90285139
N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3,4-dimethylbenzamide
CID 47077336
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 95233211
4-methyl-3-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 26778619
N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
CID 83031412
N-[(2-ethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 53279519
N-[3-(3,4-dimethoxyphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 48586348
methyl 2-[(4-methyl-3-nitrobenzoyl)amino]acetate
CID 3422808

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide (CID 3885811) is N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide is COc1ccccc1OCC(O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide?
The InChIKey is ZXIWOUSPHXDEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-12-7-8-13(9-15(12)20(23)24)18(22)19-10-14(21)11-26-17-6-4-3-5-16(17)25-2/h3-9,14,21H,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide?
N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide has a molecular weight of 360.37 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 3885811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).