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

C15H27NO2 — CID 71579649

IUPACN-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)14(18)16(13-9-8-10-13)11-6-4-5-7-12-17/h12-13H,4-11H2,1-3H3
InChIKeyQFFOHUWVMDXALZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.17
Rot. Bonds7

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

N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (PubChem CID 71579649) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.

Molecular Properties

Compound NameN-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
PubChem CID71579649
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)14(18)16(13-9-8-10-13)11-6-4-5-7-12-17/h12-13H,4-11H2,1-3H3
InChIKeyQFFOHUWVMDXALZ-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.17
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-(1,6-dioxohexan-3-yl)-N,2-dimethylpropanamide
CID 88885281
6-oxo-N,N-di(propan-2-yl)hexanamide
CID 89227332
N-methyl-8-oxo-N-propan-2-yloctanamide
CID 91019571
N,4-dimethyl-N-[(2S)-1-oxohexan-2-yl]pentanamide
CID 134531758
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-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579650
N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579651

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The IUPAC name of N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (CID 71579649) is N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.
What is the SMILES notation for N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The canonical SMILES for N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is CC(C)(C)C(=O)N(CCCCCC=O)C1CCC1.
What is the InChIKey of N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The InChIKey is QFFOHUWVMDXALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)14(18)16(13-9-8-10-13)11-6-4-5-7-12-17/h12-13H,4-11H2,1-3H3.
What are the key properties of N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide has a molecular weight of 253.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is sourced from PubChem (CID 71579649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).