2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C18H20N2O4 — CID 92672267

IUPAC2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O4/c1-13(2)24-16-9-7-14(8-10-16)12-19-18(21)11-15-5-3-4-6-17(15)20(22)23/h3-10,13H,11-12H2,1-2H3,(H,19,21)
InChIKeyJUHCDOOCOGSOCT-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.24
Rot. Bonds7

About 2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 92672267) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID92672267
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O4/c1-13(2)24-16-9-7-14(8-10-16)12-19-18(21)11-15-5-3-4-6-17(15)20(22)23/h3-10,13H,11-12H2,1-2H3,(H,19,21)
InChIKeyJUHCDOOCOGSOCT-UHFFFAOYSA-N
XLogP3.24
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.24
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

N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060695
N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 116649980
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47413238
(2-nitrophenyl)methyl 4-propan-2-yloxybenzoate
CID 7193290
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
methyl 2-methoxy-5-[[[2-(2-nitrophenyl)acetyl]amino]methyl]benzoate
CID 27817613
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 92672267) is 2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is JUHCDOOCOGSOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13(2)24-16-9-7-14(8-10-16)12-19-18(21)11-15-5-3-4-6-17(15)20(22)23/h3-10,13H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 92672267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).