N-cyclohexyl-4-hydroxy-5-nitropentanamide

C11H20N2O4 — CID 13156594

IUPACN-cyclohexyl-4-hydroxy-5-nitropentanamide
SMILESO=C(CCC(O)C[N+](=O)[O-])NC1CCCCC1
InChIInChI=1S/C11H20N2O4/c14-10(8-13(16)17)6-7-11(15)12-9-4-2-1-3-5-9/h9-10,14H,1-8H2,(H,12,15)
InChIKeyRQDWVSCSRRWIKF-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.85
Rot. Bonds6

About N-cyclohexyl-4-hydroxy-5-nitropentanamide

N-cyclohexyl-4-hydroxy-5-nitropentanamide (PubChem CID 13156594) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxy-5-nitropentanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxy-5-nitropentanamide
PubChem CID13156594
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC NameN-cyclohexyl-4-hydroxy-5-nitropentanamide
SMILESO=C(CCC(O)C[N+](=O)[O-])NC1CCCCC1
InChIInChI=1S/C11H20N2O4/c14-10(8-13(16)17)6-7-11(15)12-9-4-2-1-3-5-9/h9-10,14H,1-8H2,(H,12,15)
InChIKeyRQDWVSCSRRWIKF-UHFFFAOYSA-N
XLogP0.85
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-cyclohexyl-4-hydroxy-5-nitropentanamide?
The IUPAC name of N-cyclohexyl-4-hydroxy-5-nitropentanamide (CID 13156594) is N-cyclohexyl-4-hydroxy-5-nitropentanamide.
What is the SMILES notation for N-cyclohexyl-4-hydroxy-5-nitropentanamide?
The canonical SMILES for N-cyclohexyl-4-hydroxy-5-nitropentanamide is O=C(CCC(O)C[N+](=O)[O-])NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-hydroxy-5-nitropentanamide?
The InChIKey is RQDWVSCSRRWIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-10(8-13(16)17)6-7-11(15)12-9-4-2-1-3-5-9/h9-10,14H,1-8H2,(H,12,15).
What are the key properties of N-cyclohexyl-4-hydroxy-5-nitropentanamide?
N-cyclohexyl-4-hydroxy-5-nitropentanamide has a molecular weight of 244.29 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxy-5-nitropentanamide is sourced from PubChem (CID 13156594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).