2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

C18H20N4O4 — CID 90633306

IUPAC2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H20N4O4/c23-17(12-13-2-6-15(7-3-13)22(24)25)21-14-4-8-16(9-5-14)26-18-19-10-1-11-20-18/h1-3,6-7,10-11,14,16H,4-5,8-9,12H2,(H,21,23)
InChIKeyNLCOGJYIAGXMAH-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (PubChem CID 90633306) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
PubChem CID90633306
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H20N4O4/c23-17(12-13-2-6-15(7-3-13)22(24)25)21-14-4-8-16(9-5-14)26-18-19-10-1-11-20-18/h1-3,6-7,10-11,14,16H,4-5,8-9,12H2,(H,21,23)
InChIKeyNLCOGJYIAGXMAH-UHFFFAOYSA-N
XLogP2.43
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633273
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90633413
2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633440
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626250
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626284
1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 91626320
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226
N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (CID 90633306) is 2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The InChIKey is NLCOGJYIAGXMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-17(12-13-2-6-15(7-3-13)22(24)25)21-14-4-8-16(9-5-14)26-18-19-10-1-11-20-18/h1-3,6-7,10-11,14,16H,4-5,8-9,12H2,(H,21,23).
What are the key properties of 2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is sourced from PubChem (CID 90633306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).