N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide

C23H31N3O3 — CID 4209204

IUPACN-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1
InChIInChI=1S/C23H31N3O3/c27-20-14-13-19(25-20)21(28)26(18-11-3-1-4-12-18)23(15-7-2-8-16-23)22(29)24-17-9-5-6-10-17/h1,3-4,11-12,17,19H,2,5-10,13-16H2,(H,24,29)(H,25,27)
InChIKeyZBDGTDZQFUUMOA-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.06
Rot. Bonds5

About N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide

N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide (PubChem CID 4209204) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide
PubChem CID4209204
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1
InChIInChI=1S/C23H31N3O3/c27-20-14-13-19(25-20)21(28)26(18-11-3-1-4-12-18)23(15-7-2-8-16-23)22(29)24-17-9-5-6-10-17/h1,3-4,11-12,17,19H,2,5-10,13-16H2,(H,24,29)(H,25,27)
InChIKeyZBDGTDZQFUUMOA-UHFFFAOYSA-N
XLogP3.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide (CID 4209204) is N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide is O=C1CCC(C(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1.
What is the InChIKey of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is ZBDGTDZQFUUMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c27-20-14-13-19(25-20)21(28)26(18-11-3-1-4-12-18)23(15-7-2-8-16-23)22(29)24-17-9-5-6-10-17/h1,3-4,11-12,17,19H,2,5-10,13-16H2,(H,24,29)(H,25,27).
What are the key properties of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide?
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 4209204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).