trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide

C15H28N2O2 — CID 158492007

IUPACtrans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide
SMILESCCCCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCCCC
InChIInChI=1S/C15H28N2O2/c1-3-5-10-16-14(18)12-8-7-9-13(12)15(19)17-11-6-4-2/h12-13H,3-11H2,1-2H3,(H,16,18)(H,17,19)/t12-,13-/m1/s1
InChIKeyHIUSVUOKJAYJGV-CHWSQXEVSA-N
MW268.40 g/mol
LogP2.24
Rot. Bonds8

About trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide

trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide (PubChem CID 158492007) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide
PubChem CID158492007
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametrans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide
SMILESCCCCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCCCC
InChIInChI=1S/C15H28N2O2/c1-3-5-10-16-14(18)12-8-7-9-13(12)15(19)17-11-6-4-2/h12-13H,3-11H2,1-2H3,(H,16,18)(H,17,19)/t12-,13-/m1/s1
InChIKeyHIUSVUOKJAYJGV-CHWSQXEVSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide?
The IUPAC name of trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide (CID 158492007) is trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide is CCCCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCCCC.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide?
The InChIKey is HIUSVUOKJAYJGV-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-5-10-16-14(18)12-8-7-9-13(12)15(19)17-11-6-4-2/h12-13H,3-11H2,1-2H3,(H,16,18)(H,17,19)/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide?
trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide has a molecular weight of 268.40 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-dibutylcyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 158492007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).