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

C15H18N2O5 — CID 155530424

IUPAC[1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate
SMILESCC(=O)OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1
InChIInChI=1S/C15H18N2O5/c1-11(18)22-15(9-3-2-4-10-15)14(19)16-12-5-7-13(8-6-12)17(20)21/h5-8H,2-4,9-10H2,1H3,(H,16,19)
InChIKeyKJKBSIXHJGHJLY-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.80
Rot. Bonds4

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

[1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate (PubChem CID 155530424) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate.

Molecular Properties

Compound Name[1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate
PubChem CID155530424
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name[1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate
SMILESCC(=O)OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1
InChIInChI=1S/C15H18N2O5/c1-11(18)22-15(9-3-2-4-10-15)14(19)16-12-5-7-13(8-6-12)17(20)21/h5-8H,2-4,9-10H2,1H3,(H,16,19)
InChIKeyKJKBSIXHJGHJLY-UHFFFAOYSA-N
XLogP2.80
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate?
The IUPAC name of [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate (CID 155530424) is [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate.
What is the SMILES notation for [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate?
The canonical SMILES for [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate is CC(=O)OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1.
What is the InChIKey of [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate?
The InChIKey is KJKBSIXHJGHJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-11(18)22-15(9-3-2-4-10-15)14(19)16-12-5-7-13(8-6-12)17(20)21/h5-8H,2-4,9-10H2,1H3,(H,16,19).
What are the key properties of [1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate?
[1-[(4-nitrophenyl)carbamoyl]cyclohexyl] acetate has a molecular weight of 306.32 g/mol, XLogP of 2.80, 4 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] acetate is sourced from PubChem (CID 155530424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).