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

C20H36N2O2 — CID 132596983

IUPACN,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
SMILESC[C@H](NC(=O)CCC(=O)N[C@@H](C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36N2O2/c1-15(17-9-5-3-6-10-17)21-19(23)13-14-20(24)22-16(2)18-11-7-4-8-12-18/h15-18H,3-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16-/m0/s1
InChIKeyDMYPHCKMLDTQCN-HOTGVXAUSA-N
MW336.52 g/mol
LogP3.94
Rot. Bonds7

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

N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide (PubChem CID 132596983) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
PubChem CID132596983
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC NameN,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
SMILESC[C@H](NC(=O)CCC(=O)N[C@@H](C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36N2O2/c1-15(17-9-5-3-6-10-17)21-19(23)13-14-20(24)22-16(2)18-11-7-4-8-12-18/h15-18H,3-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16-/m0/s1
InChIKeyDMYPHCKMLDTQCN-HOTGVXAUSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide
CID 81386458
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
5-amino-N-(1-cyclohexylethyl)-4-methylpentanamide
CID 82011673
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
CID 62407749

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide?
The IUPAC name of N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide (CID 132596983) is N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide.
What is the SMILES notation for N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide?
The canonical SMILES for N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide is C[C@H](NC(=O)CCC(=O)N[C@@H](C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide?
The InChIKey is DMYPHCKMLDTQCN-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-15(17-9-5-3-6-10-17)21-19(23)13-14-20(24)22-16(2)18-11-7-4-8-12-18/h15-18H,3-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16-/m0/s1.
What are the key properties of N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide?
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide has a molecular weight of 336.52 g/mol, XLogP of 3.94, 7 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]butanediamide is sourced from PubChem (CID 132596983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).