2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen

C15H36N2O2 — CID 162749920

IUPAC2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen
SMILESCCOCC(=O)NCCCCCCCCNC(C)C.[H][H].[H][H]
InChIInChI=1S/C15H32N2O2.2H2/c1-4-19-13-15(18)17-12-10-8-6-5-7-9-11-16-14(2)3;;/h14,16H,4-13H2,1-3H3,(H,17,18);2*1H
InChIKeyVARWZAVBGKTRBQ-UHFFFAOYSA-N
MW276.46 g/mol
LogP2.97
Rot. Bonds13

About 2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen

2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen (PubChem CID 162749920) has the molecular formula C15H36N2O2 and a molecular weight of 276.46 g/mol. Its IUPAC name is 2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen
PubChem CID162749920
Molecular FormulaC15H36N2O2
Molecular Weight276.46 g/mol
Exact Mass276.28
IUPAC Name2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen
SMILESCCOCC(=O)NCCCCCCCCNC(C)C.[H][H].[H][H]
InChIInChI=1S/C15H32N2O2.2H2/c1-4-19-13-15(18)17-12-10-8-6-5-7-9-11-16-14(2)3;;/h14,16H,4-13H2,1-3H3,(H,17,18);2*1H
InChIKeyVARWZAVBGKTRBQ-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
6-[(2-ethoxyacetyl)amino]hexanoic acid
CID 28777004
2-ethoxy-N-(8-oxodecyl)acetamide;molecular hydrogen
CID 171554520
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
2-ethoxy-N-(6-iodohexyl)acetamide
CID 107848061
N-(4-aminopentyl)-2-ethoxyacetamide
CID 106122279
2-ethoxy-N-(3-hydroxypropyl)acetamide
CID 43419254
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721
2-ethoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 60638133
2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide
CID 146201925
N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide
CID 170416222
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen?
The IUPAC name of 2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen (CID 162749920) is 2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen?
The canonical SMILES for 2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen is CCOCC(=O)NCCCCCCCCNC(C)C.[H][H].[H][H].
What is the InChIKey of 2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen?
The InChIKey is VARWZAVBGKTRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2.2H2/c1-4-19-13-15(18)17-12-10-8-6-5-7-9-11-16-14(2)3;;/h14,16H,4-13H2,1-3H3,(H,17,18);2*1H.
What are the key properties of 2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen?
2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen has a molecular weight of 276.46 g/mol, XLogP of 2.97, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen is sourced from PubChem (CID 162749920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).