3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide

C28H50N2O2 — CID 6959109

IUPAC3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide
SMILESCC1(C)C[C@H](NC(=O)CCC2CCCCC2)C[C@](C)(CNC(=O)CCC2CCCCC2)C1
InChIInChI=1S/C28H50N2O2/c1-27(2)18-24(30-26(32)17-15-23-12-8-5-9-13-23)19-28(3,20-27)21-29-25(31)16-14-22-10-6-4-7-11-22/h22-24H,4-21H2,1-3H3,(H,29,31)(H,30,32)/t24-,28-/m0/s1
InChIKeyISCATKGXTNHYCZ-CUBQBAPOSA-N
MW446.72 g/mol
LogP6.52
Rot. Bonds9

About 3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide

3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide (PubChem CID 6959109) has the molecular formula C28H50N2O2 and a molecular weight of 446.72 g/mol. Its IUPAC name is 3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide
PubChem CID6959109
Molecular FormulaC28H50N2O2
Molecular Weight446.72 g/mol
Exact Mass446.39
IUPAC Name3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide
SMILESCC1(C)C[C@H](NC(=O)CCC2CCCCC2)C[C@](C)(CNC(=O)CCC2CCCCC2)C1
InChIInChI=1S/C28H50N2O2/c1-27(2)18-24(30-26(32)17-15-23-12-8-5-9-13-23)19-28(3,20-27)21-29-25(31)16-14-22-10-6-4-7-11-22/h22-24H,4-21H2,1-3H3,(H,29,31)(H,30,32)/t24-,28-/m0/s1
InChIKeyISCATKGXTNHYCZ-CUBQBAPOSA-N
XLogP6.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.72
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide with MolForge

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Related Compounds

3-cyclohexyl-N-[[(1R,5R)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide
CID 6959107
3-cyclohexyl-N-[[5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide
CID 4266172
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
CID 40571304
1-cyclooctyl-3-[(1S,3R)-3-[(cyclooctylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
CID 27210531
N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide
CID 118440950
1-cyclohexyl-3-[(1R,3S)-3-[(cyclohexylcarbamothioylamino)methyl]-3,5,5-trimethylcyclohexyl]thiourea
CID 101410739
3-cyclohexyl-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653177
2,2,2-trichloro-N-[[1,3,3-trimethyl-5-[(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]acetamide
CID 3710532
2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide
CID 1014515
3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 107034267
3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
CID 3084763
N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide
CID 144769247

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide (CID 6959109) is 3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide is CC1(C)C[C@H](NC(=O)CCC2CCCCC2)C[C@](C)(CNC(=O)CCC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide?
The InChIKey is ISCATKGXTNHYCZ-CUBQBAPOSA-N. The full InChI is InChI=1S/C28H50N2O2/c1-27(2)18-24(30-26(32)17-15-23-12-8-5-9-13-23)19-28(3,20-27)21-29-25(31)16-14-22-10-6-4-7-11-22/h22-24H,4-21H2,1-3H3,(H,29,31)(H,30,32)/t24-,28-/m0/s1.
What are the key properties of 3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide?
3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide has a molecular weight of 446.72 g/mol, XLogP of 6.52, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[[(1R,5S)-5-(3-cyclohexylpropanoylamino)-1,3,3-trimethylcyclohexyl]methyl]propanamide is sourced from PubChem (CID 6959109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).