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

C18H33NO2 — CID 71579651

IUPACN-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CCCCCC1
InChIInChI=1S/C18H33NO2/c1-18(2,3)17(21)19(14-10-6-7-11-15-20)16-12-8-4-5-9-13-16/h15-16H,4-14H2,1-3H3
InChIKeyGSLRMPAXFNKJPB-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.34
Rot. Bonds7

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

N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (PubChem CID 71579651) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
PubChem CID71579651
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CCCCCC1
InChIInChI=1S/C18H33NO2/c1-18(2,3)17(21)19(14-10-6-7-11-15-20)16-12-8-4-5-9-13-16/h15-16H,4-14H2,1-3H3
InChIKeyGSLRMPAXFNKJPB-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.34
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

6-oxo-N,N-di(propan-2-yl)hexanamide
CID 89227332
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
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
N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579650
N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579652

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The IUPAC name of N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (CID 71579651) is N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.
What is the SMILES notation for N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The canonical SMILES for N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is CC(C)(C)C(=O)N(CCCCCC=O)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The InChIKey is GSLRMPAXFNKJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-18(2,3)17(21)19(14-10-6-7-11-15-20)16-12-8-4-5-9-13-16/h15-16H,4-14H2,1-3H3.
What are the key properties of N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide has a molecular weight of 295.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is sourced from PubChem (CID 71579651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).