N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide

C23H26N2O5 — CID 8700712

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
SMILESCOc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C23H26N2O5/c1-29-20-10-7-18(8-11-20)21-15-19(25(27)28)9-12-22(21)30-16-23(26)24-14-13-17-5-3-2-4-6-17/h5,7-12,15H,2-4,6,13-14,16H2,1H3,(H,24,26)
InChIKeyLXTKXUDSXHWTPZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.66
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide (PubChem CID 8700712) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
PubChem CID8700712
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
SMILESCOc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C23H26N2O5/c1-29-20-10-7-18(8-11-20)21-15-19(25(27)28)9-12-22(21)30-16-23(26)24-14-13-17-5-3-2-4-6-17/h5,7-12,15H,2-4,6,13-14,16H2,1H3,(H,24,26)
InChIKeyLXTKXUDSXHWTPZ-UHFFFAOYSA-N
XLogP4.66
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(3-methylphenyl)acetamide
CID 7519396
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide
CID 7991213
N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 8700662
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 26054504
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8700775
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238154
N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 7519487
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523725
N-(3-chloro-4-cyanophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 18208967
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide (CID 8700712) is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide is COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide?
The InChIKey is LXTKXUDSXHWTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-29-20-10-7-18(8-11-20)21-15-19(25(27)28)9-12-22(21)30-16-23(26)24-14-13-17-5-3-2-4-6-17/h5,7-12,15H,2-4,6,13-14,16H2,1H3,(H,24,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide has a molecular weight of 410.47 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide is sourced from PubChem (CID 8700712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).