N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide

C25H35N3O3 — CID 4920144

IUPACN-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide
SMILESCc1cc(N2CCCC2=O)c(NC(=O)C2CCCCC2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C25H35N3O3/c1-17-15-22(28-14-8-13-23(28)29)21(27-25(31)19-11-6-3-7-12-19)16-20(17)26-24(30)18-9-4-2-5-10-18/h15-16,18-19H,2-14H2,1H3,(H,26,30)(H,27,31)
InChIKeyVRDDPQXYDTZXKB-UHFFFAOYSA-N
MW425.57 g/mol
LogP5.16
Rot. Bonds5

About N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide

N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide (PubChem CID 4920144) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide
PubChem CID4920144
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide
SMILESCc1cc(N2CCCC2=O)c(NC(=O)C2CCCCC2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C25H35N3O3/c1-17-15-22(28-14-8-13-23(28)29)21(27-25(31)19-11-6-3-7-12-19)16-20(17)26-24(30)18-9-4-2-5-10-18/h15-16,18-19H,2-14H2,1H3,(H,26,30)(H,27,31)
InChIKeyVRDDPQXYDTZXKB-UHFFFAOYSA-N
XLogP5.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide (CID 4920144) is N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide is Cc1cc(N2CCCC2=O)c(NC(=O)C2CCCCC2)cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is VRDDPQXYDTZXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-17-15-22(28-14-8-13-23(28)29)21(27-25(31)19-11-6-3-7-12-19)16-20(17)26-24(30)18-9-4-2-5-10-18/h15-16,18-19H,2-14H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide?
N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 425.57 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexanecarbonylamino)-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 4920144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).