3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide

C18H30N2O4 — CID 90058098

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide
SMILESCCC(C)(CCNC(=O)CCN1C(=O)C=CC1=O)OCCC(C)C
InChIInChI=1S/C18H30N2O4/c1-5-18(4,24-13-9-14(2)3)10-11-19-15(21)8-12-20-16(22)6-7-17(20)23/h6-7,14H,5,8-13H2,1-4H3,(H,19,21)
InChIKeyDUYLQWNDNFSTQS-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.04
Rot. Bonds11

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide (PubChem CID 90058098) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide
PubChem CID90058098
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide
SMILESCCC(C)(CCNC(=O)CCN1C(=O)C=CC1=O)OCCC(C)C
InChIInChI=1S/C18H30N2O4/c1-5-18(4,24-13-9-14(2)3)10-11-19-15(21)8-12-20-16(22)6-7-17(20)23/h6-7,14H,5,8-13H2,1-4H3,(H,19,21)
InChIKeyDUYLQWNDNFSTQS-UHFFFAOYSA-N
XLogP2.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide (CID 90058098) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide is CCC(C)(CCNC(=O)CCN1C(=O)C=CC1=O)OCCC(C)C.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide?
The InChIKey is DUYLQWNDNFSTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-5-18(4,24-13-9-14(2)3)10-11-19-15(21)8-12-20-16(22)6-7-17(20)23/h6-7,14H,5,8-13H2,1-4H3,(H,19,21).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 2.04, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)pentyl]propanamide is sourced from PubChem (CID 90058098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).