N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide

C18H20N2O3 — CID 23942984

IUPACN-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CC3)C2=O)cc1
InChIInChI=1S/C18H20N2O3/c1-11-2-6-14(7-3-11)20-16(21)10-15(18(20)23)19(13-8-9-13)17(22)12-4-5-12/h2-3,6-7,12-13,15H,4-5,8-10H2,1H3
InChIKeyIQQBOVZVICEQMU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.03
Rot. Bonds4

About N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide

N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 23942984) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID23942984
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CC3)C2=O)cc1
InChIInChI=1S/C18H20N2O3/c1-11-2-6-14(7-3-11)20-16(21)10-15(18(20)23)19(13-8-9-13)17(22)12-4-5-12/h2-3,6-7,12-13,15H,4-5,8-10H2,1H3
InChIKeyIQQBOVZVICEQMU-UHFFFAOYSA-N
XLogP2.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
CID 23859194
N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23830829
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide
CID 23803618
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 25037934
N-cyclohexyl-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 23859326
2-chloro-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 91691056
[4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23888619
N-cyclopropyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23745447
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-4-methylbenzamide
CID 23944596
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexyl-4-methylbenzamide
CID 23832421
N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743710
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylcyclopropanecarboxamide
CID 23802050

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide (CID 23942984) is N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide is Cc1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CC3)C2=O)cc1.
What is the InChIKey of N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is IQQBOVZVICEQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-2-6-14(7-3-11)20-16(21)10-15(18(20)23)19(13-8-9-13)17(22)12-4-5-12/h2-3,6-7,12-13,15H,4-5,8-10H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 23942984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).