N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide

C23H26N2O4 — CID 23888636

IUPACN-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide
SMILESCCC(C)N(C(=O)c1ccc(C)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C23H26N2O4/c1-5-16(3)24(22(27)17-8-6-15(2)7-9-17)20-14-21(26)25(23(20)28)18-10-12-19(29-4)13-11-18/h6-13,16,20H,5,14H2,1-4H3
InChIKeyHTTVXYSZBWWUFJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.58
Rot. Bonds6

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

N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide (PubChem CID 23888636) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide
PubChem CID23888636
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide
SMILESCCC(C)N(C(=O)c1ccc(C)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C23H26N2O4/c1-5-16(3)24(22(27)17-8-6-15(2)7-9-17)20-14-21(26)25(23(20)28)18-10-12-19(29-4)13-11-18/h6-13,16,20H,5,14H2,1-4H3
InChIKeyHTTVXYSZBWWUFJ-UHFFFAOYSA-N
XLogP3.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.58
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

methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23860694
N-butan-2-yl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxybenzamide
CID 23745207
N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23944632
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 23860711
4-methoxy-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23832270
N-butan-2-yl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 23774559
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 23944435
N-butan-2-yl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-nitrobenzamide
CID 23944538
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-butan-2-yl-4-fluorobenzamide
CID 23888524
N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 25038531
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-(1-phenylethyl)benzamide
CID 23774573
N-butan-2-yl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
CID 23745308

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide?
The IUPAC name of N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide (CID 23888636) is N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide?
The canonical SMILES for N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide is CCC(C)N(C(=O)c1ccc(C)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide?
The InChIKey is HTTVXYSZBWWUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-5-16(3)24(22(27)17-8-6-15(2)7-9-17)20-14-21(26)25(23(20)28)18-10-12-19(29-4)13-11-18/h6-13,16,20H,5,14H2,1-4H3.
What are the key properties of N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide?
N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide has a molecular weight of 394.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide is sourced from PubChem (CID 23888636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).