N'-cyclododecyl-N-(2-ethylhexyl)butanediamide

C24H46N2O2 — CID 5167640

IUPACN'-cyclododecyl-N-(2-ethylhexyl)butanediamide
SMILESCCCCC(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)
InChIKeyNWGVORAMJDLRLS-UHFFFAOYSA-N
MW394.64 g/mol
LogP5.89
Rot. Bonds10

About N'-cyclododecyl-N-(2-ethylhexyl)butanediamide

N'-cyclododecyl-N-(2-ethylhexyl)butanediamide (PubChem CID 5167640) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is N'-cyclododecyl-N-(2-ethylhexyl)butanediamide.

Molecular Properties

Compound NameN'-cyclododecyl-N-(2-ethylhexyl)butanediamide
PubChem CID5167640
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC NameN'-cyclododecyl-N-(2-ethylhexyl)butanediamide
SMILESCCCCC(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)
InChIKeyNWGVORAMJDLRLS-UHFFFAOYSA-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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Pentanamide, 2-amino-N-dodecyl-4-methyl-, (2S)-
CID 53958672
N-Dodecyl-L-valinamide
CID 71400476
(2S)-2-amino-N-dodecyl-3-methylpentanamide
CID 88629494
Pentanamide, 2-propyl-N-(2-propylpentyl)-
CID 218532
Propionamide, N-(1-methyl-2-propylpentyl)-
CID 3040306
Pentamide, N-(1-methyl-2-propylpentyl)-2-propyl-
CID 3040309
2-ethyl-N-octylhexanamide
CID 4170065
3-(3-cyclopentylpropylamino)-N,N-di(propan-2-yl)propanamide
CID 178292560
N,N-octadecyl succinic amide
CID 20233410

Frequently Asked Questions

What is the IUPAC name of N'-cyclododecyl-N-(2-ethylhexyl)butanediamide?
The IUPAC name of N'-cyclododecyl-N-(2-ethylhexyl)butanediamide (CID 5167640) is N'-cyclododecyl-N-(2-ethylhexyl)butanediamide.
What is the SMILES notation for N'-cyclododecyl-N-(2-ethylhexyl)butanediamide?
The canonical SMILES for N'-cyclododecyl-N-(2-ethylhexyl)butanediamide is CCCCC(CC)CNC(=O)CCC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of N'-cyclododecyl-N-(2-ethylhexyl)butanediamide?
The InChIKey is NWGVORAMJDLRLS-UHFFFAOYSA-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).
What are the key properties of N'-cyclododecyl-N-(2-ethylhexyl)butanediamide?
N'-cyclododecyl-N-(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-(2-ethylhexyl)butanediamide is sourced from PubChem (CID 5167640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).