N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide

C18H20N2O5 — CID 87005469

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide
SMILESCOCCOc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H20N2O5/c1-24-9-10-25-17-4-2-3-15(11-17)13-19-18(21)12-14-5-7-16(8-6-14)20(22)23/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)
InChIKeyZPUMQHUBIJINBD-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.48
Rot. Bonds9

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide

N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide (PubChem CID 87005469) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide
PubChem CID87005469
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide
SMILESCOCCOc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H20N2O5/c1-24-9-10-25-17-4-2-3-15(11-17)13-19-18(21)12-14-5-7-16(8-6-14)20(22)23/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)
InChIKeyZPUMQHUBIJINBD-UHFFFAOYSA-N
XLogP2.48
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119723299
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-nitrophenyl)methyl]benzene-1,3-dicarboxamide
CID 10136847
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
(4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate
CID 118367352
1-[3-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)urea
CID 68651093
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 86829840
1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-nitrophenyl)urea
CID 38283099
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954
2-[(2-chlorophenyl)methoxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55801251
2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87013294

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide (CID 87005469) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide is COCCOc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is ZPUMQHUBIJINBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-24-9-10-25-17-4-2-3-15(11-17)13-19-18(21)12-14-5-7-16(8-6-14)20(22)23/h2-8,11H,9-10,12-13H2,1H3,(H,19,21).
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 87005469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).