N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide

C24H46N2O2 — CID 7298055

IUPACN'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
SMILESCCCC[C@H](CC)CNC(=O)CCC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C24H46N2O2/c1-3-5-15-21(4-2)20-25-23(27)18-19-24(28)26-22-16-13-11-9-7-6-8-10-12-14-17-22/h21-22H,3-20H2,1-2H3,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeyNWGVORAMJDLRLS-NRFANRHFSA-N
MW394.64 g/mol
LogP5.89
Rot. Bonds10

About N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide

N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide (PubChem CID 7298055) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide.

Molecular Properties

Compound NameN'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
PubChem CID7298055
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC NameN'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
SMILESCCCC[C@H](CC)CNC(=O)CCC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C24H46N2O2/c1-3-5-15-21(4-2)20-25-23(27)18-19-24(28)26-22-16-13-11-9-7-6-8-10-12-14-17-22/h21-22H,3-20H2,1-2H3,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeyNWGVORAMJDLRLS-NRFANRHFSA-N
XLogP5.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-cycloheptylnonanamide
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4-(aminomethyl)-N-cyclohexylhexanamide
CID 112515401
1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea
CID 75885262
N-cyclooctylbutanamide
CID 4614062
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
CID 119261618

Frequently Asked Questions

What is the IUPAC name of N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide?
The IUPAC name of N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide (CID 7298055) is N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide.
What is the SMILES notation for N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide?
The canonical SMILES for N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide is CCCC[C@H](CC)CNC(=O)CCC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide?
The InChIKey is NWGVORAMJDLRLS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-3-5-15-21(4-2)20-25-23(27)18-19-24(28)26-22-16-13-11-9-7-6-8-10-12-14-17-22/h21-22H,3-20H2,1-2H3,(H,25,27)(H,26,28)/t21-/m0/s1.
What are the key properties of N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide?
N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide has a molecular weight of 394.64 g/mol, XLogP of 5.89, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide is sourced from PubChem (CID 7298055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).