N-cyclooctyl-N-(1-phenylcyclopentyl)formamide

C20H29NO — CID 53446301

IUPACN-cyclooctyl-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(C1CCCCCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H29NO/c22-17-21(19-13-7-2-1-3-8-14-19)20(15-9-10-16-20)18-11-5-4-6-12-18/h4-6,11-12,17,19H,1-3,7-10,13-16H2
InChIKeyUSNBJSCMADWQPS-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.03
Rot. Bonds4

About N-cyclooctyl-N-(1-phenylcyclopentyl)formamide

N-cyclooctyl-N-(1-phenylcyclopentyl)formamide (PubChem CID 53446301) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N-cyclooctyl-N-(1-phenylcyclopentyl)formamide.

Molecular Properties

Compound NameN-cyclooctyl-N-(1-phenylcyclopentyl)formamide
PubChem CID53446301
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN-cyclooctyl-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(C1CCCCCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H29NO/c22-17-21(19-13-7-2-1-3-8-14-19)20(15-9-10-16-20)18-11-5-4-6-12-18/h4-6,11-12,17,19H,1-3,7-10,13-16H2
InChIKeyUSNBJSCMADWQPS-UHFFFAOYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N-(1-phenylcyclopentyl)formamide?
The IUPAC name of N-cyclooctyl-N-(1-phenylcyclopentyl)formamide (CID 53446301) is N-cyclooctyl-N-(1-phenylcyclopentyl)formamide.
What is the SMILES notation for N-cyclooctyl-N-(1-phenylcyclopentyl)formamide?
The canonical SMILES for N-cyclooctyl-N-(1-phenylcyclopentyl)formamide is O=CN(C1CCCCCCC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-cyclooctyl-N-(1-phenylcyclopentyl)formamide?
The InChIKey is USNBJSCMADWQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c22-17-21(19-13-7-2-1-3-8-14-19)20(15-9-10-16-20)18-11-5-4-6-12-18/h4-6,11-12,17,19H,1-3,7-10,13-16H2.
What are the key properties of N-cyclooctyl-N-(1-phenylcyclopentyl)formamide?
N-cyclooctyl-N-(1-phenylcyclopentyl)formamide has a molecular weight of 299.46 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N-(1-phenylcyclopentyl)formamide is sourced from PubChem (CID 53446301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).