(4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate

C17H23N3O5 — CID 86680821

IUPAC(4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate
SMILESCC(C)(C)ON=C1CCC(NC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H23N3O5/c1-17(2,3)25-19-13-6-4-12(5-7-13)18-16(21)24-15-10-8-14(9-11-15)20(22)23/h8-12H,4-7H2,1-3H3,(H,18,21)/b19-13-
InChIKeyYEEIAMNUEIYAQX-UYRXBGFRSA-N
MW349.39 g/mol
LogP3.80
Rot. Bonds4

About (4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate

(4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate (PubChem CID 86680821) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate
PubChem CID86680821
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name(4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate
SMILESCC(C)(C)ON=C1CCC(NC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H23N3O5/c1-17(2,3)25-19-13-6-4-12(5-7-13)18-16(21)24-15-10-8-14(9-11-15)20(22)23/h8-12H,4-7H2,1-3H3,(H,18,21)/b19-13-
InChIKeyYEEIAMNUEIYAQX-UYRXBGFRSA-N
XLogP3.80
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate?
The IUPAC name of (4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate (CID 86680821) is (4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate.
What is the SMILES notation for (4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate?
The canonical SMILES for (4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate is CC(C)(C)ON=C1CCC(NC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of (4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate?
The InChIKey is YEEIAMNUEIYAQX-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-17(2,3)25-19-13-6-4-12(5-7-13)18-16(21)24-15-10-8-14(9-11-15)20(22)23/h8-12H,4-7H2,1-3H3,(H,18,21)/b19-13-.
What are the key properties of (4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate?
(4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate has a molecular weight of 349.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]carbamate is sourced from PubChem (CID 86680821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).