2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide

C19H38N2O6 — CID 170116833

IUPAC2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide
SMILESCCC(C)NCCOCCOCC(=O)NCCOCCOCC(=O)C(C)C
InChIInChI=1S/C19H38N2O6/c1-5-17(4)20-6-8-24-11-13-27-15-19(23)21-7-9-25-10-12-26-14-18(22)16(2)3/h16-17,20H,5-15H2,1-4H3,(H,21,23)
InChIKeyFDHASSMCEHTJEF-UHFFFAOYSA-N
MW390.52 g/mol
LogP0.78
Rot. Bonds19

About 2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide

2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide (PubChem CID 170116833) has the molecular formula C19H38N2O6 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide
PubChem CID170116833
Molecular FormulaC19H38N2O6
Molecular Weight390.52 g/mol
Exact Mass390.27
IUPAC Name2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide
SMILESCCC(C)NCCOCCOCC(=O)NCCOCCOCC(=O)C(C)C
InChIInChI=1S/C19H38N2O6/c1-5-17(4)20-6-8-24-11-13-27-15-19(23)21-7-9-25-10-12-26-14-18(22)16(2)3/h16-17,20H,5-15H2,1-4H3,(H,21,23)
InChIKeyFDHASSMCEHTJEF-UHFFFAOYSA-N
XLogP0.78
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethyl]-2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]acetamide
CID 162749903
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 163401188
3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(3-methyl-2-oxobutoxy)ethyl]propanamide
CID 170223089
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 137432077
N-(2-ethoxyethyl)-2-(3-methyl-2-oxobutoxy)acetamide;molecular hydrogen
CID 156820587
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
2-(butan-2-ylamino)-N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]acetamide
CID 155446032
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide (CID 170116833) is 2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide is CCC(C)NCCOCCOCC(=O)NCCOCCOCC(=O)C(C)C.
What is the InChIKey of 2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide?
The InChIKey is FDHASSMCEHTJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O6/c1-5-17(4)20-6-8-24-11-13-27-15-19(23)21-7-9-25-10-12-26-14-18(22)16(2)3/h16-17,20H,5-15H2,1-4H3,(H,21,23).
What are the key properties of 2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide?
2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide has a molecular weight of 390.52 g/mol, XLogP of 0.78, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 170116833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).