N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C17H28N2O4 — CID 147080775

IUPACN-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(C)(C)CCOC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H28N2O4/c1-16(2,3)9-11-23-17(4,5)12-18-13(20)8-10-19-14(21)6-7-15(19)22/h6-7H,8-12H2,1-5H3,(H,18,20)
InChIKeyBGWGIOXIDGYYCJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.65
Rot. Bonds8

About N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 147080775) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID147080775
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(C)(C)CCOC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H28N2O4/c1-16(2,3)9-11-23-17(4,5)12-18-13(20)8-10-19-14(21)6-7-15(19)22/h6-7H,8-12H2,1-5H3,(H,18,20)
InChIKeyBGWGIOXIDGYYCJ-UHFFFAOYSA-N
XLogP1.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
m-PEG4-Mal
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylbutoxy)propyl]propanamide
CID 57643402
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxobutoxy)ethyl]propanamide
CID 57747448
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 58749047
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
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide
CID 59256329
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]propanamide
CID 59256336
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide
CID 59256382
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-methoxyethyl)propanamide
CID 59256417

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 147080775) is N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is CC(C)(C)CCOC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is BGWGIOXIDGYYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-16(2,3)9-11-23-17(4,5)12-18-13(20)8-10-19-14(21)6-7-15(19)22/h6-7H,8-12H2,1-5H3,(H,18,20).
What are the key properties of N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 324.42 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylbutoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 147080775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).