1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide

C23H44N2O2 — CID 20752259

IUPAC1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide
SMILESCCCCC(CC)CNC(=O)C1CCCC1C(=O)NCC(CC)CCCC
InChIInChI=1S/C23H44N2O2/c1-5-9-12-18(7-3)16-24-22(26)20-14-11-15-21(20)23(27)25-17-19(8-4)13-10-6-2/h18-21H,5-17H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyNHDDXMAAABXOTG-UHFFFAOYSA-N
MW380.62 g/mol
LogP5.07
Rot. Bonds14

About 1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide

1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide (PubChem CID 20752259) has the molecular formula C23H44N2O2 and a molecular weight of 380.62 g/mol. Its IUPAC name is 1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide
PubChem CID20752259
Molecular FormulaC23H44N2O2
Molecular Weight380.62 g/mol
Exact Mass380.34
IUPAC Name1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide
SMILESCCCCC(CC)CNC(=O)C1CCCC1C(=O)NCC(CC)CCCC
InChIInChI=1S/C23H44N2O2/c1-5-9-12-18(7-3)16-24-22(26)20-14-11-15-21(20)23(27)25-17-19(8-4)13-10-6-2/h18-21H,5-17H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyNHDDXMAAABXOTG-UHFFFAOYSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide (CID 20752259) is 1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide is CCCCC(CC)CNC(=O)C1CCCC1C(=O)NCC(CC)CCCC.
What is the InChIKey of 1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide?
The InChIKey is NHDDXMAAABXOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O2/c1-5-9-12-18(7-3)16-24-22(26)20-14-11-15-21(20)23(27)25-17-19(8-4)13-10-6-2/h18-21H,5-17H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide?
1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide has a molecular weight of 380.62 g/mol, XLogP of 5.07, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 20752259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).