N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide

C19H37NO3 — CID 58223984

IUPACN-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide
SMILESCC(C)C(=O)CCCCCOCCCCCC(=O)N(C)C(C)C
InChIInChI=1S/C19H37NO3/c1-16(2)18(21)12-8-6-10-14-23-15-11-7-9-13-19(22)20(5)17(3)4/h16-17H,6-15H2,1-5H3
InChIKeyHXXYLTNQIUNCIN-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.22
Rot. Bonds14

About N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide

N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide (PubChem CID 58223984) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide.

Molecular Properties

Compound NameN-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide
PubChem CID58223984
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC NameN-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide
SMILESCC(C)C(=O)CCCCCOCCCCCC(=O)N(C)C(C)C
InChIInChI=1S/C19H37NO3/c1-16(2)18(21)12-8-6-10-14-23-15-11-7-9-13-19(22)20(5)17(3)4/h16-17H,6-15H2,1-5H3
InChIKeyHXXYLTNQIUNCIN-UHFFFAOYSA-N
XLogP4.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.22
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

Adipic acid, monoamide, N,N-di(2-ethylhexyl)-, nonyl ester
CID 91717773
Adipic acid, monoamide, N,N-di(2-ethylhexyl)-, octyl ester
CID 91717859
(7-Methyl-6-oxooctoxy)carbonyl-(6-oxo-6-propan-2-ylazanidylhexyl)azanide;bis(rubidium(1+))
CID 57638817
6-(7-Methyl-6-oxooctoxy)hexanoyl-propan-2-ylazanide;rubidium(1+)
CID 57638927
6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide
CID 57638928
(7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate
CID 58223916
N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide
CID 58223926
N,N'-dibutyl-2-(12-ethoxydodecyl)-N,N'-dimethylpropanediamide
CID 88395143
N,N'-dibutyl-2-(6-ethoxyhexyl)-N,N'-dimethylpropanediamide
CID 88464327
7-(3-methoxy-3-methylbutoxy)-N,2,2,4,4,7-hexamethyl-N-tritriacontan-17-yloctanamide
CID 123161665
7-(3-methoxy-3-methylbutoxy)-N,2,2,4,4,7-hexamethyl-N-pentatriacontan-18-yloctanamide
CID 123359942
N-hentriacontan-16-yl-7-(3-methoxy-3-methylbutoxy)-N,2,2,4,4,7-hexamethylnonanamide
CID 123479311

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide?
The IUPAC name of N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide (CID 58223984) is N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide.
What is the SMILES notation for N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide?
The canonical SMILES for N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide is CC(C)C(=O)CCCCCOCCCCCC(=O)N(C)C(C)C.
What is the InChIKey of N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide?
The InChIKey is HXXYLTNQIUNCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-16(2)18(21)12-8-6-10-14-23-15-11-7-9-13-19(22)20(5)17(3)4/h16-17H,6-15H2,1-5H3.
What are the key properties of N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide?
N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide has a molecular weight of 327.51 g/mol, XLogP of 4.22, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide is sourced from PubChem (CID 58223984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).