N,N-bis(2-ethylhexyl)cyclopentanecarboxamide

C22H43NO — CID 533299

IUPACN,N-bis(2-ethylhexyl)cyclopentanecarboxamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C1CCCC1
InChIInChI=1S/C22H43NO/c1-5-9-13-19(7-3)17-23(18-20(8-4)14-10-6-2)22(24)21-15-11-12-16-21/h19-21H,5-18H2,1-4H3
InChIKeyITYCDYBYLCSIDA-UHFFFAOYSA-N
MW337.59 g/mol
LogP6.44
Rot. Bonds13

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

N,N-bis(2-ethylhexyl)cyclopentanecarboxamide (PubChem CID 533299) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)cyclopentanecarboxamide
PubChem CID533299
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC NameN,N-bis(2-ethylhexyl)cyclopentanecarboxamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C1CCCC1
InChIInChI=1S/C22H43NO/c1-5-9-13-19(7-3)17-23(18-20(8-4)14-10-6-2)22(24)21-15-11-12-16-21/h19-21H,5-18H2,1-4H3
InChIKeyITYCDYBYLCSIDA-UHFFFAOYSA-N
XLogP6.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.44
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)cyclopentanecarboxamide?
The IUPAC name of N,N-bis(2-ethylhexyl)cyclopentanecarboxamide (CID 533299) is N,N-bis(2-ethylhexyl)cyclopentanecarboxamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)cyclopentanecarboxamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)cyclopentanecarboxamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)C1CCCC1.
What is the InChIKey of N,N-bis(2-ethylhexyl)cyclopentanecarboxamide?
The InChIKey is ITYCDYBYLCSIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-5-9-13-19(7-3)17-23(18-20(8-4)14-10-6-2)22(24)21-15-11-12-16-21/h19-21H,5-18H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)cyclopentanecarboxamide?
N,N-bis(2-ethylhexyl)cyclopentanecarboxamide has a molecular weight of 337.59 g/mol, XLogP of 6.44, 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)cyclopentanecarboxamide is sourced from PubChem (CID 533299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).