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

C16H29NO2 — CID 71579650

IUPACN-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CCCC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)15(19)17(14-10-6-7-11-14)12-8-4-5-9-13-18/h13-14H,4-12H2,1-3H3
InChIKeyJVFVRXAROHAPBZ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.56
Rot. Bonds7

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

N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (PubChem CID 71579650) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
PubChem CID71579650
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CCCC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)15(19)17(14-10-6-7-11-14)12-8-4-5-9-13-18/h13-14H,4-12H2,1-3H3
InChIKeyJVFVRXAROHAPBZ-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.56
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,N-diethyl-6-oxohexanamide
CID 10899353
N-tert-butyl-N-[(1-deuteriocarbonylcyclopentyl)methyl]propanamide
CID 58810526
6-oxo-N,N-di(propan-2-yl)hexanamide
CID 89227332
N-methyl-N-(6-oxohexyl)propanamide
CID 137412946
N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579562
N-cyclohexyl-N-(6-oxohexyl)acetamide
CID 71579563
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-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579651
N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579652
N-methyl-6-oxo-N-propylhexanamide
CID 142529602

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The IUPAC name of N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (CID 71579650) is N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.
What is the SMILES notation for N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The canonical SMILES for N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is CC(C)(C)C(=O)N(CCCCCC=O)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The InChIKey is JVFVRXAROHAPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2,3)15(19)17(14-10-6-7-11-14)12-8-4-5-9-13-18/h13-14H,4-12H2,1-3H3.
What are the key properties of N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide has a molecular weight of 267.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is sourced from PubChem (CID 71579650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).