N,N-bis(2-ethylhexyl)cyclohexanecarboxamide

C23H45NO — CID 533213

IUPACN,N-bis(2-ethylhexyl)cyclohexanecarboxamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C1CCCCC1
InChIInChI=1S/C23H45NO/c1-5-9-14-20(7-3)18-24(19-21(8-4)15-10-6-2)23(25)22-16-12-11-13-17-22/h20-22H,5-19H2,1-4H3
InChIKeyLZMUWQUKBWZZGG-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.83
Rot. Bonds13

About N,N-bis(2-ethylhexyl)cyclohexanecarboxamide

N,N-bis(2-ethylhexyl)cyclohexanecarboxamide (PubChem CID 533213) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)cyclohexanecarboxamide
PubChem CID533213
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC NameN,N-bis(2-ethylhexyl)cyclohexanecarboxamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C1CCCCC1
InChIInChI=1S/C23H45NO/c1-5-9-14-20(7-3)18-24(19-21(8-4)15-10-6-2)23(25)22-16-12-11-13-17-22/h20-22H,5-19H2,1-4H3
InChIKeyLZMUWQUKBWZZGG-UHFFFAOYSA-N
XLogP6.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)cyclohexanecarboxamide?
The IUPAC name of N,N-bis(2-ethylhexyl)cyclohexanecarboxamide (CID 533213) is N,N-bis(2-ethylhexyl)cyclohexanecarboxamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)cyclohexanecarboxamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)cyclohexanecarboxamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)C1CCCCC1.
What is the InChIKey of N,N-bis(2-ethylhexyl)cyclohexanecarboxamide?
The InChIKey is LZMUWQUKBWZZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/c1-5-9-14-20(7-3)18-24(19-21(8-4)15-10-6-2)23(25)22-16-12-11-13-17-22/h20-22H,5-19H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)cyclohexanecarboxamide?
N,N-bis(2-ethylhexyl)cyclohexanecarboxamide has a molecular weight of 351.62 g/mol, XLogP of 6.83, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)cyclohexanecarboxamide is sourced from PubChem (CID 533213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).