2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide

C22H45NO3 — CID 170091107

IUPAC2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide
SMILESCCCCC(C)CCCCCOCCOCCCCCNC(=O)C(C)C
InChIInChI=1S/C22H45NO3/c1-5-6-13-21(4)14-9-7-11-16-25-18-19-26-17-12-8-10-15-23-22(24)20(2)3/h20-21H,5-19H2,1-4H3,(H,23,24)
InChIKeyJZKGYJOIDPUNRC-UHFFFAOYSA-N
MW371.61 g/mol
LogP5.35
Rot. Bonds19

About 2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide

2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide (PubChem CID 170091107) has the molecular formula C22H45NO3 and a molecular weight of 371.61 g/mol. Its IUPAC name is 2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide
PubChem CID170091107
Molecular FormulaC22H45NO3
Molecular Weight371.61 g/mol
Exact Mass371.34
IUPAC Name2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide
SMILESCCCCC(C)CCCCCOCCOCCCCCNC(=O)C(C)C
InChIInChI=1S/C22H45NO3/c1-5-6-13-21(4)14-9-7-11-16-25-18-19-26-17-12-8-10-15-23-22(24)20(2)3/h20-21H,5-19H2,1-4H3,(H,23,24)
InChIKeyJZKGYJOIDPUNRC-UHFFFAOYSA-N
XLogP5.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[5-[5-(methylamino)pentoxy]pentyl]propanamide
CID 156794993
2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
CID 115753308
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide
CID 167107449
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
[5-methyl-6-(tetradecylcarbamoyloxy)hexyl] N-tetradecylcarbamate
CID 58283700
2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide
CID 170040572
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
CID 156795155
2-methyl-N-nonyldecanamide
CID 141429494
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide (CID 170091107) is 2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide is CCCCC(C)CCCCCOCCOCCCCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide?
The InChIKey is JZKGYJOIDPUNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO3/c1-5-6-13-21(4)14-9-7-11-16-25-18-19-26-17-12-8-10-15-23-22(24)20(2)3/h20-21H,5-19H2,1-4H3,(H,23,24).
What are the key properties of 2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide?
2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide has a molecular weight of 371.61 g/mol, XLogP of 5.35, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide is sourced from PubChem (CID 170091107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).