1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide

C25H28N2O3 — CID 86941652

IUPAC1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C25H28N2O3/c1-16-15-19(9-10-20(16)27-21(28)11-12-22(27)29)26-23(30)25(13-14-25)18-7-5-17(6-8-18)24(2,3)4/h5-10,15H,11-14H2,1-4H3,(H,26,30)
InChIKeyUHTWKLKKTLTDNS-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.62
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide

1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide (PubChem CID 86941652) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide
PubChem CID86941652
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C25H28N2O3/c1-16-15-19(9-10-20(16)27-21(28)11-12-22(27)29)26-23(30)25(13-14-25)18-7-5-17(6-8-18)24(2,3)4/h5-10,15H,11-14H2,1-4H3,(H,26,30)
InChIKeyUHTWKLKKTLTDNS-UHFFFAOYSA-N
XLogP4.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 75463765
1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 39215283
1-N-(4-tert-butylphenyl)-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981391
1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 71938322
1-(4-tert-butylphenyl)-N-[2-chloro-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 55799431
1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 52723771
3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride
CID 120610743
(Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 97359213
1-(4-tert-butylphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopropane-1-carboxamide
CID 46686248
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
1-(4-tert-butylphenyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopropane-1-carboxamide
CID 56573417
9-amino-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989748

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide (CID 86941652) is 1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)ccc1N1C(=O)CCC1=O.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide?
The InChIKey is UHTWKLKKTLTDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-16-15-19(9-10-20(16)27-21(28)11-12-22(27)29)26-23(30)25(13-14-25)18-7-5-17(6-8-18)24(2,3)4/h5-10,15H,11-14H2,1-4H3,(H,26,30).
What are the key properties of 1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide?
1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86941652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).