2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide

C16H34N2O — CID 156547005

IUPAC2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide
SMILESCC(C)CCCCCCNC(=O)CN(C)CC(C)C
InChIInChI=1S/C16H34N2O/c1-14(2)10-8-6-7-9-11-17-16(19)13-18(5)12-15(3)4/h14-15H,6-13H2,1-5H3,(H,17,19)
InChIKeyRUSFLFVFDYOYHJ-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.30
Rot. Bonds11

About 2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide

2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide (PubChem CID 156547005) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide
PubChem CID156547005
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide
SMILESCC(C)CCCCCCNC(=O)CN(C)CC(C)C
InChIInChI=1S/C16H34N2O/c1-14(2)10-8-6-7-9-11-17-16(19)13-18(5)12-15(3)4/h14-15H,6-13H2,1-5H3,(H,17,19)
InChIKeyRUSFLFVFDYOYHJ-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid
CID 62964548
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-hexyl-6-methylheptanamide
CID 141197249
N-(8-methylnonyl)-2-(2-methylpropylamino)acetamide
CID 156546991
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
1-methyl-3-(7-methyloctyl)urea
CID 71899901
3-amino-3-methyl-N-(7-methyloctyl)butanamide
CID 64677184
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide?
The IUPAC name of 2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide (CID 156547005) is 2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide.
What is the SMILES notation for 2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide?
The canonical SMILES for 2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide is CC(C)CCCCCCNC(=O)CN(C)CC(C)C.
What is the InChIKey of 2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide?
The InChIKey is RUSFLFVFDYOYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)10-8-6-7-9-11-17-16(19)13-18(5)12-15(3)4/h14-15H,6-13H2,1-5H3,(H,17,19).
What are the key properties of 2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide?
2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide has a molecular weight of 270.46 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide is sourced from PubChem (CID 156547005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).