6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide

C18H35NO4 — CID 146531520

IUPAC6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCCOC(C)(C)C(=O)CCCCO
InChIInChI=1S/C18H35NO4/c1-5-13-19(4)17(22)12-7-6-10-15-23-18(2,3)16(21)11-8-9-14-20/h20H,5-15H2,1-4H3
InChIKeyBMFRJJMVCDALKH-UHFFFAOYSA-N
MW329.48 g/mol
LogP2.94
Rot. Bonds14

About 6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide

6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide (PubChem CID 146531520) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is 6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide.

Molecular Properties

Compound Name6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide
PubChem CID146531520
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCCOC(C)(C)C(=O)CCCCO
InChIInChI=1S/C18H35NO4/c1-5-13-19(4)17(22)12-7-6-10-15-23-18(2,3)16(21)11-8-9-14-20/h20H,5-15H2,1-4H3
InChIKeyBMFRJJMVCDALKH-UHFFFAOYSA-N
XLogP2.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide
CID 146426413
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
ethane;N-methyl-9-oxo-N-propylundecanamide
CID 170584314
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
CID 107910777
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-(5-hydroxypentyl)-N-methylhept-6-ynamide
CID 107300861

Frequently Asked Questions

What is the IUPAC name of 6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide?
The IUPAC name of 6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide (CID 146531520) is 6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide.
What is the SMILES notation for 6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide?
The canonical SMILES for 6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide is CCCN(C)C(=O)CCCCCOC(C)(C)C(=O)CCCCO.
What is the InChIKey of 6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide?
The InChIKey is BMFRJJMVCDALKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-5-13-19(4)17(22)12-7-6-10-15-23-18(2,3)16(21)11-8-9-14-20/h20H,5-15H2,1-4H3.
What are the key properties of 6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide?
6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide has a molecular weight of 329.48 g/mol, XLogP of 2.94, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide is sourced from PubChem (CID 146531520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).