N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide

C24H44N2O3 — CID 134350874

IUPACN-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide
SMILESO=C(NCC(C1CCCCCCCCCC1)[N+](=O)[O-])C1CCCCCCCCC1
InChIInChI=1S/C24H44N2O3/c27-24(22-18-14-10-6-3-7-11-15-19-22)25-20-23(26(28)29)21-16-12-8-4-1-2-5-9-13-17-21/h21-23H,1-20H2,(H,25,27)
InChIKeyKFLAHCWMMAMGEY-UHFFFAOYSA-N
MW408.63 g/mol
LogP6.42
Rot. Bonds5

About N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide

N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide (PubChem CID 134350874) has the molecular formula C24H44N2O3 and a molecular weight of 408.63 g/mol. Its IUPAC name is N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide.

Molecular Properties

Compound NameN-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide
PubChem CID134350874
Molecular FormulaC24H44N2O3
Molecular Weight408.63 g/mol
Exact Mass408.34
IUPAC NameN-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide
SMILESO=C(NCC(C1CCCCCCCCCC1)[N+](=O)[O-])C1CCCCCCCCC1
InChIInChI=1S/C24H44N2O3/c27-24(22-18-14-10-6-3-7-11-15-19-22)25-20-23(26(28)29)21-16-12-8-4-1-2-5-9-13-17-21/h21-23H,1-20H2,(H,25,27)
InChIKeyKFLAHCWMMAMGEY-UHFFFAOYSA-N
XLogP6.42
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
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N-(2-cyclohexyl-2-hydroxyethyl)pyrrolidine-3-carboxamide
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N-(2-amino-2-sulfanylideneethyl)cyclooctanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide?
The IUPAC name of N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide (CID 134350874) is N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide.
What is the SMILES notation for N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide?
The canonical SMILES for N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide is O=C(NCC(C1CCCCCCCCCC1)[N+](=O)[O-])C1CCCCCCCCC1.
What is the InChIKey of N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide?
The InChIKey is KFLAHCWMMAMGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O3/c27-24(22-18-14-10-6-3-7-11-15-19-22)25-20-23(26(28)29)21-16-12-8-4-1-2-5-9-13-17-21/h21-23H,1-20H2,(H,25,27).
What are the key properties of N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide?
N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide has a molecular weight of 408.63 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloundecyl-2-nitroethyl)cyclodecanecarboxamide is sourced from PubChem (CID 134350874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).