2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide

C17H33N3O5 — CID 143937201

IUPAC2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide
SMILESCCC(=O)C(C)(C)NCCOCCOCC(=O)C(C)(C)NCC(N)=O
InChIInChI=1S/C17H33N3O5/c1-6-13(21)16(2,3)19-7-8-24-9-10-25-12-14(22)17(4,5)20-11-15(18)23/h19-20H,6-12H2,1-5H3,(H2,18,23)
InChIKeySSVDWIVJUZHGKX-UHFFFAOYSA-N
MW359.47 g/mol
LogP-0.21
Rot. Bonds15

About 2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide

2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide (PubChem CID 143937201) has the molecular formula C17H33N3O5 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide
PubChem CID143937201
Molecular FormulaC17H33N3O5
Molecular Weight359.47 g/mol
Exact Mass359.24
IUPAC Name2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide
SMILESCCC(=O)C(C)(C)NCCOCCOCC(=O)C(C)(C)NCC(N)=O
InChIInChI=1S/C17H33N3O5/c1-6-13(21)16(2,3)19-7-8-24-9-10-25-12-14(22)17(4,5)20-11-15(18)23/h19-20H,6-12H2,1-5H3,(H2,18,23)
InChIKeySSVDWIVJUZHGKX-UHFFFAOYSA-N
XLogP-0.21
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one
CID 167053489
1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 166662752
1-[4-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-4-methyl-3-oxopentyl]pyrrole-2,5-dione
CID 144539962
16-[[1-carboxy-5-methyl-5-[2-[2-[3-methyl-2-oxo-3-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butoxy]ethoxy]ethylamino]-4-oxohexyl]amino]-16-oxohexadecanoic acid
CID 91466292
3-ethyl-3-methyl-1-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethoxy]hexan-2-one
CID 91440027
18-[[(1R)-1-carboxy-5-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-5-methyl-4-oxohexyl]amino]-18-oxooctadecanoic acid
CID 167493444
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
6-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-6-methyl-2-(methylamino)-5-oxoheptane-1-sulfonic acid
CID 90147296
1-[2-[2-[(7-amino-2,4,4,6,6-pentamethyl-3-oxoheptan-2-yl)amino]ethoxy]ethoxy]-3-ethyl-3,4-dimethyl-4-propyloctan-2-one
CID 138737622
2-[2-(2-hydrazinylethoxy)ethoxy]acetamide
CID 123413138
1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione
CID 155116665
1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one
CID 166946062

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide?
The IUPAC name of 2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide (CID 143937201) is 2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide.
What is the SMILES notation for 2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide?
The canonical SMILES for 2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide is CCC(=O)C(C)(C)NCCOCCOCC(=O)C(C)(C)NCC(N)=O.
What is the InChIKey of 2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide?
The InChIKey is SSVDWIVJUZHGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O5/c1-6-13(21)16(2,3)19-7-8-24-9-10-25-12-14(22)17(4,5)20-11-15(18)23/h19-20H,6-12H2,1-5H3,(H2,18,23).
What are the key properties of 2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide?
2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide has a molecular weight of 359.47 g/mol, XLogP of -0.21, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide is sourced from PubChem (CID 143937201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).