6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide

C22H43NO6 — CID 168756309

IUPAC6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
SMILESCC(C)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C22H43NO6/c1-19(2)7-5-6-8-22(25)23-10-12-27-14-16-29-18-17-28-15-13-26-11-9-21(24)20(3)4/h19-20H,5-18H2,1-4H3,(H,23,25)
InChIKeyIUGLKAFXNVEOHQ-UHFFFAOYSA-N
MW417.59 g/mol
LogP3.00
Rot. Bonds21

About 6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide

6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide (PubChem CID 168756309) has the molecular formula C22H43NO6 and a molecular weight of 417.59 g/mol. Its IUPAC name is 6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide.

Molecular Properties

Compound Name6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
PubChem CID168756309
Molecular FormulaC22H43NO6
Molecular Weight417.59 g/mol
Exact Mass417.31
IUPAC Name6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
SMILESCC(C)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C22H43NO6/c1-19(2)7-5-6-8-22(25)23-10-12-27-14-16-29-18-17-28-15-13-26-11-9-21(24)20(3)4/h19-20H,5-18H2,1-4H3,(H,23,25)
InChIKeyIUGLKAFXNVEOHQ-UHFFFAOYSA-N
XLogP3.00
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
CID 170583801
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
CID 169317050
4-methyl-1-(6-methylheptoxy)pentan-3-one
CID 118441422
potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate
CID 155739545
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
2-methyl-8-[2-[2-(7-methyloctoxy)ethoxy]ethoxy]octan-3-one
CID 170679761
3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 138721605
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
The IUPAC name of 6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide (CID 168756309) is 6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide.
What is the SMILES notation for 6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
The canonical SMILES for 6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide is CC(C)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)C.
What is the InChIKey of 6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
The InChIKey is IUGLKAFXNVEOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO6/c1-19(2)7-5-6-8-22(25)23-10-12-27-14-16-29-18-17-28-15-13-26-11-9-21(24)20(3)4/h19-20H,5-18H2,1-4H3,(H,23,25).
What are the key properties of 6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide has a molecular weight of 417.59 g/mol, XLogP of 3.00, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide is sourced from PubChem (CID 168756309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).