N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C25H27N3O4 — CID 55893148

IUPACN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C25H27N3O4/c29-22-12-13-23(30)28(22)16-17-8-10-20(11-9-17)24(31)26-15-18-4-3-7-21(14-18)27-25(32)19-5-1-2-6-19/h3-4,7-11,14,19H,1-2,5-6,12-13,15-16H2,(H,26,31)(H,27,32)
InChIKeyOESHZOXXLARSTJ-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.39
Rot. Bonds7

About N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55893148) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55893148
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C25H27N3O4/c29-22-12-13-23(30)28(22)16-17-8-10-20(11-9-17)24(31)26-15-18-4-3-7-21(14-18)27-25(32)19-5-1-2-6-19/h3-4,7-11,14,19H,1-2,5-6,12-13,15-16H2,(H,26,31)(H,27,32)
InChIKeyOESHZOXXLARSTJ-UHFFFAOYSA-N
XLogP3.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60535609
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
CID 47063709
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 60535612
N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 86931987
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 55893148) is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is OESHZOXXLARSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-22-12-13-23(30)28(22)16-17-8-10-20(11-9-17)24(31)26-15-18-4-3-7-21(14-18)27-25(32)19-5-1-2-6-19/h3-4,7-11,14,19H,1-2,5-6,12-13,15-16H2,(H,26,31)(H,27,32).
What are the key properties of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 433.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55893148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).