N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide

C32H35N3O5 — CID 129182651

IUPACN-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide
SMILESCCc1cc(Cc2cc(CC)c(N3C(=O)C=C(N(C)C(C)=O)C3=O)c(CC)c2)cc(CC)c1N1C(=O)C=CC1=O
InChIInChI=1S/C32H35N3O5/c1-7-22-14-20(15-23(8-2)30(22)34-27(37)11-12-28(34)38)13-21-16-24(9-3)31(25(10-4)17-21)35-29(39)18-26(32(35)40)33(6)19(5)36/h11-12,14-18H,7-10,13H2,1-6H3
InChIKeyQNOGWXYDDIJKTO-UHFFFAOYSA-N
MW541.65 g/mol
LogP4.19
Rot. Bonds9

About N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide

N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide (PubChem CID 129182651) has the molecular formula C32H35N3O5 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide
PubChem CID129182651
Molecular FormulaC32H35N3O5
Molecular Weight541.65 g/mol
Exact Mass541.26
IUPAC NameN-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide
SMILESCCc1cc(Cc2cc(CC)c(N3C(=O)C=C(N(C)C(C)=O)C3=O)c(CC)c2)cc(CC)c1N1C(=O)C=CC1=O
InChIInChI=1S/C32H35N3O5/c1-7-22-14-20(15-23(8-2)30(22)34-27(37)11-12-28(34)38)13-21-16-24(9-3)31(25(10-4)17-21)35-29(39)18-26(32(35)40)33(6)19(5)36/h11-12,14-18H,7-10,13H2,1-6H3
InChIKeyQNOGWXYDDIJKTO-UHFFFAOYSA-N
XLogP4.19
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.65
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide (CID 129182651) is N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide is CCc1cc(Cc2cc(CC)c(N3C(=O)C=C(N(C)C(C)=O)C3=O)c(CC)c2)cc(CC)c1N1C(=O)C=CC1=O.
What is the InChIKey of N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide?
The InChIKey is QNOGWXYDDIJKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O5/c1-7-22-14-20(15-23(8-2)30(22)34-27(37)11-12-28(34)38)13-21-16-24(9-3)31(25(10-4)17-21)35-29(39)18-26(32(35)40)33(6)19(5)36/h11-12,14-18H,7-10,13H2,1-6H3.
What are the key properties of N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide?
N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide has a molecular weight of 541.65 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide is sourced from PubChem (CID 129182651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).