(3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide

C13H23N3O2 — CID 164634114

IUPAC(3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide
SMILESCNC(=O)[C@H]1CCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C13H23N3O2/c1-14-12(17)10-7-8-16(9-10)13(18)15-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18)/t10-/m0/s1
InChIKeyYULXARVRPVRNIG-JTQLQIEISA-N
MW253.35 g/mol
LogP1.10
Rot. Bonds2

About (3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide

(3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide (PubChem CID 164634114) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide
PubChem CID164634114
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide
SMILESCNC(=O)[C@H]1CCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C13H23N3O2/c1-14-12(17)10-7-8-16(9-10)13(18)15-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18)/t10-/m0/s1
InChIKeyYULXARVRPVRNIG-JTQLQIEISA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide (CID 164634114) is (3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide is CNC(=O)[C@H]1CCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of (3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide?
The InChIKey is YULXARVRPVRNIG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N3O2/c1-14-12(17)10-7-8-16(9-10)13(18)15-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18)/t10-/m0/s1.
What are the key properties of (3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide?
(3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-cyclohexyl-3-N-methylpyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 164634114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).