N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide

C18H18N2O4 — CID 19237258

IUPACN-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N2O4/c1-3-6-14-7-4-5-8-17(14)24-12-18(21)19-15-10-9-13(2)16(11-15)20(22)23/h3-5,7-11H,1,6,12H2,2H3,(H,19,21)
InChIKeyZSRVUAQWIJDTOK-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.65
Rot. Bonds7

About N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide

N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide (PubChem CID 19237258) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
PubChem CID19237258
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N2O4/c1-3-6-14-7-4-5-8-17(14)24-12-18(21)19-15-10-9-13(2)16(11-15)20(22)23/h3-5,7-11H,1,6,12H2,2H3,(H,19,21)
InChIKeyZSRVUAQWIJDTOK-UHFFFAOYSA-N
XLogP3.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237257
N-(3-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407018
N-(4-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407019
N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407053
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 7707153
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 40618321
2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide
CID 23966900
N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578425
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937
2-(2-benzylphenoxy)-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]acetamide
CID 9359661
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 29460675

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide (CID 19237258) is N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide is C=CCc1ccccc1OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
The InChIKey is ZSRVUAQWIJDTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-6-14-7-4-5-8-17(14)24-12-18(21)19-15-10-9-13(2)16(11-15)20(22)23/h3-5,7-11H,1,6,12H2,2H3,(H,19,21).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide has a molecular weight of 326.35 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 19237258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).