N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane

C19H42N2O4 — CID 163400462

IUPACN-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane
SMILESCC.CC.COCC(=O)NCCCCCOCCCCCNC(C)=O
InChIInChI=1S/C15H30N2O4.2C2H6/c1-14(18)16-9-5-3-7-11-21-12-8-4-6-10-17-15(19)13-20-2;2*1-2/h3-13H2,1-2H3,(H,16,18)(H,17,19);2*1-2H3
InChIKeyVOWQBDXKFCAAGF-UHFFFAOYSA-N
MW362.56 g/mol
LogP3.29
Rot. Bonds14

About N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane

N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane (PubChem CID 163400462) has the molecular formula C19H42N2O4 and a molecular weight of 362.56 g/mol. Its IUPAC name is N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane.

Molecular Properties

Compound NameN-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane
PubChem CID163400462
Molecular FormulaC19H42N2O4
Molecular Weight362.56 g/mol
Exact Mass362.31
IUPAC NameN-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane
SMILESCC.CC.COCC(=O)NCCCCCOCCCCCNC(C)=O
InChIInChI=1S/C15H30N2O4.2C2H6/c1-14(18)16-9-5-3-7-11-21-12-8-4-6-10-17-15(19)13-20-2;2*1-2/h3-13H2,1-2H3,(H,16,18)(H,17,19);2*1-2H3
InChIKeyVOWQBDXKFCAAGF-UHFFFAOYSA-N
XLogP3.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(5-acetamidopentoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155056819
ethane;2-methoxy-N-[3-[4-(methylamino)butoxy]propyl]acetamide
CID 176551860
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017
N-[4-(3-methoxypropoxy)butyl]acetamide
CID 134356384
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
2-methoxy-N-(3-propoxypropyl)acetamide
CID 82947081
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
2-methoxy-N-nonylacetamide
CID 86922058
N-[11-[(2-methoxyacetyl)amino]undecyl]propanamide
CID 155455429
N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide
CID 135296593
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane
CID 178085327

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane?
The IUPAC name of N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane (CID 163400462) is N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane.
What is the SMILES notation for N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane?
The canonical SMILES for N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane is CC.CC.COCC(=O)NCCCCCOCCCCCNC(C)=O.
What is the InChIKey of N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane?
The InChIKey is VOWQBDXKFCAAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4.2C2H6/c1-14(18)16-9-5-3-7-11-21-12-8-4-6-10-17-15(19)13-20-2;2*1-2/h3-13H2,1-2H3,(H,16,18)(H,17,19);2*1-2H3.
What are the key properties of N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane?
N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane has a molecular weight of 362.56 g/mol, XLogP of 3.29, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane is sourced from PubChem (CID 163400462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).