1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide

C17H31N3O2 — CID 3219609

IUPAC1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C17H31N3O2/c1-13(2)10-11-18-16(21)15-9-6-12-20(15)17(22)19-14-7-4-3-5-8-14/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXTCDMZMMPQUKPF-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.66
Rot. Bonds5

About 1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide

1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219609) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219609
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C17H31N3O2/c1-13(2)10-11-18-16(21)15-9-6-12-20(15)17(22)19-14-7-4-3-5-8-14/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXTCDMZMMPQUKPF-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide (CID 3219609) is 1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide is CC(C)CCNC(=O)C1CCCN1C(=O)NC1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is XTCDMZMMPQUKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-13(2)10-11-18-16(21)15-9-6-12-20(15)17(22)19-14-7-4-3-5-8-14/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).