6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide

C16H31NO3 — CID 126707815

IUPAC6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide
SMILESCC(C)(C)OCCCCCC(=O)NCCCCCC=O
InChIInChI=1S/C16H31NO3/c1-16(2,3)20-14-10-6-7-11-15(19)17-12-8-4-5-9-13-18/h13H,4-12,14H2,1-3H3,(H,17,19)
InChIKeyADKRYPZFZPTCAI-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.24
Rot. Bonds12

About 6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide

6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide (PubChem CID 126707815) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide
PubChem CID126707815
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide
SMILESCC(C)(C)OCCCCCC(=O)NCCCCCC=O
InChIInChI=1S/C16H31NO3/c1-16(2,3)20-14-10-6-7-11-15(19)17-12-8-4-5-9-13-18/h13H,4-12,14H2,1-3H3,(H,17,19)
InChIKeyADKRYPZFZPTCAI-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

14-oxo-N-pentadecyltetradecanamide
CID 90756507
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide
CID 168992305
methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859
N-(4,4-dimethylpentyl)-6-oxohexanamide
CID 171520123
6-oxo-N-pentylhexanamide
CID 90124095
tert-butyl N-[5-oxo-5-(3-oxopropylamino)pentyl]carbamate
CID 54132798
N-(9-aminononyl)-9-oxononanamide
CID 174335255
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290
4-amino-N-(6-oxohexyl)butanamide
CID 155175150
tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate
CID 142525218
tert-butyl N-[3-[4-[3-[[10-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propylamino]-10-oxodecanoyl]amino]propylamino]butylamino]propyl]carbamate
CID 10190757

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide (CID 126707815) is 6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide is CC(C)(C)OCCCCCC(=O)NCCCCCC=O.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide?
The InChIKey is ADKRYPZFZPTCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-16(2,3)20-14-10-6-7-11-15(19)17-12-8-4-5-9-13-18/h13H,4-12,14H2,1-3H3,(H,17,19).
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide?
6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide has a molecular weight of 285.43 g/mol, XLogP of 3.24, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide is sourced from PubChem (CID 126707815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).