N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide

C22H31N3O4 — CID 3239152

IUPACN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)N1
InChIInChI=1S/C22H31N3O4/c26-19-11-10-18(24-19)20(27)25(15-17-9-6-14-29-17)22(12-4-1-5-13-22)21(28)23-16-7-2-3-8-16/h6,9,14,16,18H,1-5,7-8,10-13,15H2,(H,23,28)(H,24,26)
InChIKeyDYXZPCWPPXZDGI-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.65
Rot. Bonds6

About N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide

N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 3239152) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID3239152
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC NameN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)N1
InChIInChI=1S/C22H31N3O4/c26-19-11-10-18(24-19)20(27)25(15-17-9-6-14-29-17)22(12-4-1-5-13-22)21(28)23-16-7-2-3-8-16/h6,9,14,16,18H,1-5,7-8,10-13,15H2,(H,23,28)(H,24,26)
InChIKeyDYXZPCWPPXZDGI-UHFFFAOYSA-N
XLogP2.65
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide (CID 3239152) is N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)N1.
What is the InChIKey of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DYXZPCWPPXZDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c26-19-11-10-18(24-19)20(27)25(15-17-9-6-14-29-17)22(12-4-1-5-13-22)21(28)23-16-7-2-3-8-16/h6,9,14,16,18H,1-5,7-8,10-13,15H2,(H,23,28)(H,24,26).
What are the key properties of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3239152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).