N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide

C31H58N2O2 — CID 102132492

IUPACN,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
SMILESC[C@H](NC(=O)CCCCCCCCCCCCCC(=O)N[C@@H](C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H58N2O2/c1-26(28-20-14-12-15-21-28)32-30(34)24-18-10-8-6-4-3-5-7-9-11-19-25-31(35)33-27(2)29-22-16-13-17-23-29/h26-29H,3-25H2,1-2H3,(H,32,34)(H,33,35)/t26-,27-/m0/s1
InChIKeyACRKGHOXUKERII-SVBPBHIXSA-N
MW490.82 g/mol
LogP8.23
Rot. Bonds18

About N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide

N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide (PubChem CID 102132492) has the molecular formula C31H58N2O2 and a molecular weight of 490.82 g/mol. Its IUPAC name is N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide.

Molecular Properties

Compound NameN,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
PubChem CID102132492
Molecular FormulaC31H58N2O2
Molecular Weight490.82 g/mol
Exact Mass490.45
IUPAC NameN,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
SMILESC[C@H](NC(=O)CCCCCCCCCCCCCC(=O)N[C@@H](C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H58N2O2/c1-26(28-20-14-12-15-21-28)32-30(34)24-18-10-8-6-4-3-5-7-9-11-19-25-31(35)33-27(2)29-22-16-13-17-23-29/h26-29H,3-25H2,1-2H3,(H,32,34)(H,33,35)/t26-,27-/m0/s1
InChIKeyACRKGHOXUKERII-SVBPBHIXSA-N
XLogP8.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.82
LogP ≤ 58.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide
CID 81386458
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide
CID 81393682
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
5-amino-N-[(1R)-1-cyclohexylethyl]hexanamide
CID 82852365
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide?
The IUPAC name of N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide (CID 102132492) is N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide.
What is the SMILES notation for N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide?
The canonical SMILES for N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide is C[C@H](NC(=O)CCCCCCCCCCCCCC(=O)N[C@@H](C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide?
The InChIKey is ACRKGHOXUKERII-SVBPBHIXSA-N. The full InChI is InChI=1S/C31H58N2O2/c1-26(28-20-14-12-15-21-28)32-30(34)24-18-10-8-6-4-3-5-7-9-11-19-25-31(35)33-27(2)29-22-16-13-17-23-29/h26-29H,3-25H2,1-2H3,(H,32,34)(H,33,35)/t26-,27-/m0/s1.
What are the key properties of N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide?
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide has a molecular weight of 490.82 g/mol, XLogP of 8.23, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide is sourced from PubChem (CID 102132492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).