3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide

C23H40N2O5 — CID 167062986

IUPAC3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide
SMILESCCC1CC(=O)N(CCC(=O)NCCC(C)(C)OCCC(C)(C)C(=O)C(C)C)C1=O
InChIInChI=1S/C23H40N2O5/c1-8-17-15-19(27)25(21(17)29)13-9-18(26)24-12-10-23(6,7)30-14-11-22(4,5)20(28)16(2)3/h16-17H,8-15H2,1-7H3,(H,24,26)
InChIKeyKYCIEGZAOSKINU-UHFFFAOYSA-N
MW424.58 g/mol
LogP3.10
Rot. Bonds13

About 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide

3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide (PubChem CID 167062986) has the molecular formula C23H40N2O5 and a molecular weight of 424.58 g/mol. Its IUPAC name is 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide
PubChem CID167062986
Molecular FormulaC23H40N2O5
Molecular Weight424.58 g/mol
Exact Mass424.29
IUPAC Name3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide
SMILESCCC1CC(=O)N(CCC(=O)NCCC(C)(C)OCCC(C)(C)C(=O)C(C)C)C1=O
InChIInChI=1S/C23H40N2O5/c1-8-17-15-19(27)25(21(17)29)13-9-18(26)24-12-10-23(6,7)30-14-11-22(4,5)20(28)16(2)3/h16-17H,8-15H2,1-7H3,(H,24,26)
InChIKeyKYCIEGZAOSKINU-UHFFFAOYSA-N
XLogP3.10
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
CID 170010835
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 67977208
N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 126550295
ethane;3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 155745456
4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[4-oxo-4-(propan-2-ylamino)butoxy]ethyl]butanamide
CID 167208033
N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 130471010
3-[3-(2-amino-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(3-ethoxy-3-methylbutyl)propanamide
CID 126672402
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-[2-[3-(3-methoxy-3-methylbutoxy)butoxy]ethoxy]-2-[2-[3-(3-methylbutoxy)butoxy]ethoxy]propoxy]propyl]propanamide;methanol
CID 142314212
N-[1-amino-6-[3-[4-[4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypropanoylamino]-1-oxohexan-2-yl]dodecanamide
CID 155356353
[4-[2-[[2-[[4-[3-[3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-4-methylpentanoyl]amino]acetyl]amino]propanoylamino]phenyl]methyl propanoate
CID 178093622
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide
CID 155571740
5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide
CID 177144711

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide?
The IUPAC name of 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide (CID 167062986) is 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide?
The canonical SMILES for 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide is CCC1CC(=O)N(CCC(=O)NCCC(C)(C)OCCC(C)(C)C(=O)C(C)C)C1=O.
What is the InChIKey of 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide?
The InChIKey is KYCIEGZAOSKINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O5/c1-8-17-15-19(27)25(21(17)29)13-9-18(26)24-12-10-23(6,7)30-14-11-22(4,5)20(28)16(2)3/h16-17H,8-15H2,1-7H3,(H,24,26).
What are the key properties of 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide?
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide has a molecular weight of 424.58 g/mol, XLogP of 3.10, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide is sourced from PubChem (CID 167062986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).