3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione

C19H18N2O4 — CID 154691686

IUPAC3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(Cc2cccc(C)c2)N2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C19H18N2O4/c1-11-5-4-6-14(7-11)10-15(20-16(22)8-12(2)18(20)24)21-17(23)9-13(3)19(21)25/h4-9,15H,10H2,1-3H3
InChIKeyAHOWDKGPQZXAKS-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.49
Rot. Bonds4

About 3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione

3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione (PubChem CID 154691686) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione
PubChem CID154691686
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(Cc2cccc(C)c2)N2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C19H18N2O4/c1-11-5-4-6-14(7-11)10-15(20-16(22)8-12(2)18(20)24)21-17(23)9-13(3)19(21)25/h4-9,15H,10H2,1-3H3
InChIKeyAHOWDKGPQZXAKS-UHFFFAOYSA-N
XLogP1.49
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 60902619
1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 22989002
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
2-amino-3-(3-methylphenyl)propanal
CID 82415099
1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene
CID 66042111
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
1-(2-chlorobutyl)-3-methylbenzene
CID 63016853
(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252
3-methyl-2-[(3-methylphenyl)methyl]butanal
CID 83829594
2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 62388506

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione (CID 154691686) is 3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione is CC1=CC(=O)N(C(Cc2cccc(C)c2)N2C(=O)C=C(C)C2=O)C1=O.
What is the InChIKey of 3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione?
The InChIKey is AHOWDKGPQZXAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-5-4-6-14(7-11)10-15(20-16(22)8-12(2)18(20)24)21-17(23)9-13(3)19(21)25/h4-9,15H,10H2,1-3H3.
What are the key properties of 3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione?
3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione has a molecular weight of 338.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 154691686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).