N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide

C19H35NO2 — CID 71579652

IUPACN-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CCCCCCC1
InChIInChI=1S/C19H35NO2/c1-19(2,3)18(22)20(15-11-7-8-12-16-21)17-13-9-5-4-6-10-14-17/h16-17H,4-15H2,1-3H3
InChIKeyGYSRSNILGMVZKC-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.73
Rot. Bonds7

About N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide

N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (PubChem CID 71579652) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.

Molecular Properties

Compound NameN-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
PubChem CID71579652
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC NameN-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CCCCCCC1
InChIInChI=1S/C19H35NO2/c1-19(2,3)18(22)20(15-11-7-8-12-16-21)17-13-9-5-4-6-10-14-17/h16-17H,4-15H2,1-3H3
InChIKeyGYSRSNILGMVZKC-UHFFFAOYSA-N
XLogP4.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-8-oxo-N-propan-2-yloctanamide
CID 91019571
N,N-diethyl-16-oxohexadecanamide
CID 130369038
N-[3-(dimethylamino)propyl]-N-(17-oxoheptadecan-8-yl)nonanamide
CID 165146321
N-hexyl-N-(8-oxooctyl)hexanamide
CID 169065624
N-decyl-4-(dimethylamino)-N-(1-oxohexadecan-7-yl)butanamide
CID 169107745
4-(dimethylamino)-N-(1-oxohexadecan-7-yl)-N-(5-oxopentyl)butanamide
CID 169107755
N-(7-oxoheptyl)-N-tridecylformamide
CID 169665570
4-(dimethylamino)-N-octyl-N-(1-oxohexadecan-7-yl)butanamide
CID 170087531
N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579562
N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide
CID 71579564
N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579648
N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579649

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The IUPAC name of N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (CID 71579652) is N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.
What is the SMILES notation for N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The canonical SMILES for N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is CC(C)(C)C(=O)N(CCCCCC=O)C1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The InChIKey is GYSRSNILGMVZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-19(2,3)18(22)20(15-11-7-8-12-16-21)17-13-9-5-4-6-10-14-17/h16-17H,4-15H2,1-3H3.
What are the key properties of N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide has a molecular weight of 309.49 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is sourced from PubChem (CID 71579652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).