2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide

C14H28N2O4 — CID 156820627

IUPAC2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide
SMILESCCC(=O)COCCOCCNC(=O)CN(C)C(C)C
InChIInChI=1S/C14H28N2O4/c1-5-13(17)11-20-9-8-19-7-6-15-14(18)10-16(4)12(2)3/h12H,5-11H2,1-4H3,(H,15,18)
InChIKeyQSDFIKPLGHWTJB-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.46
Rot. Bonds12

About 2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide

2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide (PubChem CID 156820627) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide
PubChem CID156820627
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide
SMILESCCC(=O)COCCOCCNC(=O)CN(C)C(C)C
InChIInChI=1S/C14H28N2O4/c1-5-13(17)11-20-9-8-19-7-6-15-14(18)10-16(4)12(2)3/h12H,5-11H2,1-4H3,(H,15,18)
InChIKeyQSDFIKPLGHWTJB-UHFFFAOYSA-N
XLogP0.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 170362074
3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide
CID 155077240
N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
CID 155455431
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912838
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
[2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate
CID 157417113
(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide
CID 138726688
molecular hydrogen;N-[2-oxo-2-[2-(2-oxobutoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 167464435
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400
2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 138726748

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide (CID 156820627) is 2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide is CCC(=O)COCCOCCNC(=O)CN(C)C(C)C.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide?
The InChIKey is QSDFIKPLGHWTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-13(17)11-20-9-8-19-7-6-15-14(18)10-16(4)12(2)3/h12H,5-11H2,1-4H3,(H,15,18).
What are the key properties of 2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide?
2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 0.46, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 156820627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).