[1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate

C14H16N2O5 — CID 155546440

IUPAC[1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate
SMILESO=COC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1
InChIInChI=1S/C14H16N2O5/c17-10-21-14(8-2-1-3-9-14)13(18)15-11-4-6-12(7-5-11)16(19)20/h4-7,10H,1-3,8-9H2,(H,15,18)
InChIKeyDAYIRMVBKNZYCT-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.41
Rot. Bonds5

About [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate

[1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate (PubChem CID 155546440) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate.

Molecular Properties

Compound Name[1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate
PubChem CID155546440
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name[1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate
SMILESO=COC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1
InChIInChI=1S/C14H16N2O5/c17-10-21-14(8-2-1-3-9-14)13(18)15-11-4-6-12(7-5-11)16(19)20/h4-7,10H,1-3,8-9H2,(H,15,18)
InChIKeyDAYIRMVBKNZYCT-UHFFFAOYSA-N
XLogP2.41
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate?
The IUPAC name of [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate (CID 155546440) is [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate.
What is the SMILES notation for [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate?
The canonical SMILES for [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate is O=COC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1.
What is the InChIKey of [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate?
The InChIKey is DAYIRMVBKNZYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-10-21-14(8-2-1-3-9-14)13(18)15-11-4-6-12(7-5-11)16(19)20/h4-7,10H,1-3,8-9H2,(H,15,18).
What are the key properties of [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate?
[1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate has a molecular weight of 292.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] formate is sourced from PubChem (CID 155546440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).