N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C19H33N3O5 — CID 131993705

IUPACN-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCC(C)(CN)OCCC(C)(C)OCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C19H33N3O5/c1-5-19(4,14-20)27-12-9-18(2,3)26-13-10-21-15(23)8-11-22-16(24)6-7-17(22)25/h6-7H,5,8-14,20H2,1-4H3,(H,21,23)
InChIKeyIIPJBZFBBGJCBR-UHFFFAOYSA-N
MW383.49 g/mol
LogP0.75
Rot. Bonds13

About N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 131993705) has the molecular formula C19H33N3O5 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID131993705
Molecular FormulaC19H33N3O5
Molecular Weight383.49 g/mol
Exact Mass383.24
IUPAC NameN-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCC(C)(CN)OCCC(C)(C)OCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C19H33N3O5/c1-5-19(4,14-20)27-12-9-18(2,3)26-13-10-21-15(23)8-11-22-16(24)6-7-17(22)25/h6-7H,5,8-14,20H2,1-4H3,(H,21,23)
InChIKeyIIPJBZFBBGJCBR-UHFFFAOYSA-N
XLogP0.75
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Propanoic acid, 3-[2-[2-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]ethoxy]-, 1,1-dimethylethyl ester
CID 134839772
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
m-PEG4-Mal
CID 51341049
m-PEG8-Mal
CID 51341050
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxobutoxy)ethyl]propanamide
CID 57747448
N'-[2-[2-[[4-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethyl]-N-methylbutanediamide
CID 58732260
3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide
CID 58785854
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 59256325
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide
CID 59256382
N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59289119
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 59365004
N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 60031858

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 131993705) is N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is CCC(C)(CN)OCCC(C)(C)OCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is IIPJBZFBBGJCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O5/c1-5-19(4,14-20)27-12-9-18(2,3)26-13-10-21-15(23)8-11-22-16(24)6-7-17(22)25/h6-7H,5,8-14,20H2,1-4H3,(H,21,23).
What are the key properties of N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 383.49 g/mol, XLogP of 0.75, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 131993705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).