N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide

C15H29NO3 — CID 146426413

IUPACN-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCCOC(C)(C)C(C)=O
InChIInChI=1S/C15H29NO3/c1-6-11-16(5)14(18)10-8-7-9-12-19-15(3,4)13(2)17/h6-12H2,1-5H3
InChIKeyFYQYNWLWGYSBEP-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.80
Rot. Bonds10

About N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide

N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide (PubChem CID 146426413) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide.

Molecular Properties

Compound NameN-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide
PubChem CID146426413
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCCOC(C)(C)C(C)=O
InChIInChI=1S/C15H29NO3/c1-6-11-16(5)14(18)10-8-7-9-12-19-15(3,4)13(2)17/h6-12H2,1-5H3
InChIKeyFYQYNWLWGYSBEP-UHFFFAOYSA-N
XLogP2.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(7-hydroxy-2-methyl-3-oxoheptan-2-yl)oxy-N-methyl-N-propylhexanamide
CID 146531520
3-hexoxy-3-methylbutan-2-one
CID 164846460
ethane;N-methyl-9-oxo-N-propylundecanamide
CID 170584314
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
2-hexoxy-2-methylpropanoic acid
CID 114989010
2-[dodecanoyl(methyl)amino]ethyl dodecanoate
CID 87794388
octadecyl 2-[methyl(tetradecanoyl)amino]acetate
CID 141251537
pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
tert-butyl 4-[methyl(propyl)amino]-4-oxobutanoate
CID 106707015
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide?
The IUPAC name of N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide (CID 146426413) is N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide.
What is the SMILES notation for N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide?
The canonical SMILES for N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide is CCCN(C)C(=O)CCCCCOC(C)(C)C(C)=O.
What is the InChIKey of N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide?
The InChIKey is FYQYNWLWGYSBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-6-11-16(5)14(18)10-8-7-9-12-19-15(3,4)13(2)17/h6-12H2,1-5H3.
What are the key properties of N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide?
N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide has a molecular weight of 271.40 g/mol, XLogP of 2.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methyl-3-oxobutan-2-yl)oxy-N-propylhexanamide is sourced from PubChem (CID 146426413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).