3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide

C16H30N2O6 — CID 170139012

IUPAC3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
SMILESCCOCCOCCC(=O)NCCC(=O)NCCOCC(=O)CC
InChIInChI=1S/C16H30N2O6/c1-3-14(19)13-24-10-8-18-15(20)5-7-17-16(21)6-9-23-12-11-22-4-2/h3-13H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyPVLOMTKKPXVHHP-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.05
Rot. Bonds16

About 3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide

3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide (PubChem CID 170139012) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
PubChem CID170139012
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
SMILESCCOCCOCCC(=O)NCCC(=O)NCCOCC(=O)CC
InChIInChI=1S/C16H30N2O6/c1-3-14(19)13-24-10-8-18-15(20)5-7-17-16(21)6-9-23-12-11-22-4-2/h3-13H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyPVLOMTKKPXVHHP-UHFFFAOYSA-N
XLogP0.05
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.05
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

3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
molecular hydrogen;N-[2-oxo-2-[2-(2-oxobutoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 167464435
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
CID 146602613
N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
CID 155455431
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(3-methyl-2-oxobutoxy)ethyl]propanamide
CID 170223089
CID 169190202
CID 169190202
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide?
The IUPAC name of 3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide (CID 170139012) is 3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide.
What is the SMILES notation for 3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide?
The canonical SMILES for 3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide is CCOCCOCCC(=O)NCCC(=O)NCCOCC(=O)CC.
What is the InChIKey of 3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide?
The InChIKey is PVLOMTKKPXVHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-3-14(19)13-24-10-8-18-15(20)5-7-17-16(21)6-9-23-12-11-22-4-2/h3-13H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide?
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide has a molecular weight of 346.42 g/mol, XLogP of 0.05, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide is sourced from PubChem (CID 170139012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).