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

C16H20N2O4 — CID 2500325

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCCC1=CCCCC1
InChIInChI=1S/C16H20N2O4/c19-16(17-11-10-13-6-2-1-3-7-13)12-22-15-9-5-4-8-14(15)18(20)21/h4-6,8-9H,1-3,7,10-12H2,(H,17,19)
InChIKeyAGPJAQSYXGKNTC-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.98
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 2500325) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
PubChem CID2500325
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCCC1=CCCCC1
InChIInChI=1S/C16H20N2O4/c19-16(17-11-10-13-6-2-1-3-7-13)12-22-15-9-5-4-8-14(15)18(20)21/h4-6,8-9H,1-3,7,10-12H2,(H,17,19)
InChIKeyAGPJAQSYXGKNTC-UHFFFAOYSA-N
XLogP2.98
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.98
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-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 1185801
1-[(2-Nitrophenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 717250
2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 1247565
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2568109
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
N-(1-cyanocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 8285101
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-nitrophenoxy)acetamide
CID 16322266
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2946222
2-(4-chloro-2-nitrophenoxy)-N-cyclohexylacetamide
CID 973131
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide (CID 2500325) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is AGPJAQSYXGKNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-16(17-11-10-13-6-2-1-3-7-13)12-22-15-9-5-4-8-14(15)18(20)21/h4-6,8-9H,1-3,7,10-12H2,(H,17,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 304.35 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2500325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).