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

C18H30N2O4 — CID 126625124

IUPACN-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(C)(C)CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O4/c1-17(2,3)10-13-24-18(4,5)9-11-19-14(21)8-12-20-15(22)6-7-16(20)23/h6-7H,8-13H2,1-5H3,(H,19,21)
InChIKeyQUPPKLOOQMTLQM-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.04
Rot. Bonds9

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

N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 126625124) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID126625124
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(C)(C)CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O4/c1-17(2,3)10-13-24-18(4,5)9-11-19-14(21)8-12-20-15(22)6-7-16(20)23/h6-7H,8-13H2,1-5H3,(H,19,21)
InChIKeyQUPPKLOOQMTLQM-UHFFFAOYSA-N
XLogP2.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.04
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-dioxopyrrol-1-yl)-N-[3-(2-methylbutoxy)propyl]propanamide
CID 57643402
3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxypropyl)propanamide
CID 60134414
3-(2,5-dioxopyrrol-1-yl)-N-[4-(3-methylbutoxy)-2-(3-methylbutoxymethyl)butyl]propanamide
CID 68018547
3-(2,5-dioxopyrrol-1-yl)-N-(3-propoxypropyl)propanamide
CID 89748747
3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide
CID 90058098
3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide
CID 90294839
3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide
CID 90394454
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide
CID 91491022
N-(3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 118446686
3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-[3-methyl-3-(3-oxopropoxy)butoxy]butyl]propanamide
CID 123319260
3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide
CID 123344292
N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 123359777

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 126625124) is N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is CC(C)(C)CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is QUPPKLOOQMTLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-17(2,3)10-13-24-18(4,5)9-11-19-14(21)8-12-20-15(22)6-7-16(20)23/h6-7H,8-13H2,1-5H3,(H,19,21).
What are the key properties of N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 126625124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).