2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide

C15H30N2O5 — CID 146201925

IUPAC2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide
SMILESCC(=O)COCCOCCOCC(=O)NCCCNC(C)C
InChIInChI=1S/C15H30N2O5/c1-13(2)16-5-4-6-17-15(19)12-22-10-8-20-7-9-21-11-14(3)18/h13,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyDVJJSBDHDZJBRE-UHFFFAOYSA-N
MW318.41 g/mol
LogP0.13
Rot. Bonds15

About 2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide

2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide (PubChem CID 146201925) has the molecular formula C15H30N2O5 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide
PubChem CID146201925
Molecular FormulaC15H30N2O5
Molecular Weight318.41 g/mol
Exact Mass318.22
IUPAC Name2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide
SMILESCC(=O)COCCOCCOCC(=O)NCCCNC(C)C
InChIInChI=1S/C15H30N2O5/c1-13(2)16-5-4-6-17-15(19)12-22-10-8-20-7-9-21-11-14(3)18/h13,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyDVJJSBDHDZJBRE-UHFFFAOYSA-N
XLogP0.13
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802
ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
CID 166555356
N-(2-hydroxyethyl)-2-[2-(2-oxopropoxy)ethoxy]acetamide
CID 155596113
2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 59533808
2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen
CID 162749920
N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide
CID 170597970
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
2-methyl-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130331562
N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide
CID 170416222
5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130440881

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide?
The IUPAC name of 2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide (CID 146201925) is 2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide.
What is the SMILES notation for 2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide?
The canonical SMILES for 2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide is CC(=O)COCCOCCOCC(=O)NCCCNC(C)C.
What is the InChIKey of 2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide?
The InChIKey is DVJJSBDHDZJBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O5/c1-13(2)16-5-4-6-17-15(19)12-22-10-8-20-7-9-21-11-14(3)18/h13,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide?
2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide has a molecular weight of 318.41 g/mol, XLogP of 0.13, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide is sourced from PubChem (CID 146201925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).