[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C17H29N3O5 — CID 55399975

IUPAC[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC(C)CCCC(C)NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H29N3O5/c1-11(2)7-6-8-12(3)18-13(21)10-25-14(22)9-20-15(23)17(4,5)19-16(20)24/h11-12H,6-10H2,1-5H3,(H,18,21)(H,19,24)
InChIKeyGEDKRUUCSXVRAN-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.19
Rot. Bonds9

About [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 55399975) has the molecular formula C17H29N3O5 and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID55399975
Molecular FormulaC17H29N3O5
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC Name[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC(C)CCCC(C)NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H29N3O5/c1-11(2)7-6-8-12(3)18-13(21)10-25-14(22)9-20-15(23)17(4,5)19-16(20)24/h11-12H,6-10H2,1-5H3,(H,18,21)(H,19,24)
InChIKeyGEDKRUUCSXVRAN-UHFFFAOYSA-N
XLogP1.19
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821692
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79028054
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209579
[2-(3-methylbutylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821661
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209917
methyl (2R)-2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8653906
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209846
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821686
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209821
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011087
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 46606290

Frequently Asked Questions

What is the IUPAC name of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 55399975) is [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC(C)CCCC(C)NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is GEDKRUUCSXVRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O5/c1-11(2)7-6-8-12(3)18-13(21)10-25-14(22)9-20-15(23)17(4,5)19-16(20)24/h11-12H,6-10H2,1-5H3,(H,18,21)(H,19,24).
What are the key properties of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 355.44 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 55399975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).