2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide

C17H18N2O4 — CID 2994786

IUPAC2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide
SMILESCc1cc(OCC(=O)NC(C)c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O4/c1-12-10-15(8-9-16(12)19(21)22)23-11-17(20)18-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,18,20)
InChIKeyLBRNDGCIXWLAAE-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.16
Rot. Bonds6

About 2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide

2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide (PubChem CID 2994786) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide
PubChem CID2994786
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide
SMILESCc1cc(OCC(=O)NC(C)c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O4/c1-12-10-15(8-9-16(12)19(21)22)23-11-17(20)18-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,18,20)
InChIKeyLBRNDGCIXWLAAE-UHFFFAOYSA-N
XLogP3.16
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Mls002706796
CID 273306
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 1185801
2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 1247565
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
3-(4-nitrophenoxy)-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2986507
2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 11056631
N-[1-(4-chlorophenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 60356606
2-[4-(acetylamino)phenoxy]-N-benzylacetamide
CID 894364
2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 977949
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 977997
N-isobutyl-3-{[(4-nitrophenoxy)acetyl]amino}benzamide
CID 1317507

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide (CID 2994786) is 2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide is Cc1cc(OCC(=O)NC(C)c2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide?
The InChIKey is LBRNDGCIXWLAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12-10-15(8-9-16(12)19(21)22)23-11-17(20)18-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide?
2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2994786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).