N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide

C22H28N2O4 — CID 23830829

IUPACN-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C22H28N2O4/c1-28-18-12-10-17(11-13-18)24-20(25)14-19(22(24)27)23(21(26)15-8-9-15)16-6-4-2-3-5-7-16/h10-13,15-16,19H,2-9,14H2,1H3
InChIKeyVCTRKRJVLABTJY-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.29
Rot. Bonds5

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

N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 23830829) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID23830829
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C22H28N2O4/c1-28-18-12-10-17(11-13-18)24-20(25)14-19(22(24)27)23(21(26)15-8-9-15)16-6-4-2-3-5-7-16/h10-13,15-16,19H,2-9,14H2,1H3
InChIKeyVCTRKRJVLABTJY-UHFFFAOYSA-N
XLogP3.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.29
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

N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23830803
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 25037934
N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23942984
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23772971
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
CID 23859194
N-cyclopentyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-methoxybenzamide
CID 25037158
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylcyclopropanecarboxamide
CID 23802050
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
CID 23745291
N-cyclopropyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774586
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexylacetamide
CID 23830804
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3-methoxybenzamide
CID 23888438

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide (CID 23830829) is N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide is COc1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CCCCCC3)C2=O)cc1.
What is the InChIKey of N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is VCTRKRJVLABTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-28-18-12-10-17(11-13-18)24-20(25)14-19(22(24)27)23(21(26)15-8-9-15)16-6-4-2-3-5-7-16/h10-13,15-16,19H,2-9,14H2,1H3.
What are the key properties of N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 23830829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).