benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate

C24H36F2N2O4 — CID 14720130

IUPACbenzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate
SMILESCC(C)CC(=O)NCC(F)(F)C(O)C(CC1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C24H36F2N2O4/c1-17(2)13-21(29)27-16-24(25,26)22(30)20(14-18-9-5-3-6-10-18)28-23(31)32-15-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20,22,30H,3,5-6,9-10,13-16H2,1-2H3,(H,27,29)(H,28,31)
InChIKeySNCAGFLNKYKMPS-UHFFFAOYSA-N
MW454.56 g/mol
LogP4.41
Rot. Bonds11

About benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate

benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate (PubChem CID 14720130) has the molecular formula C24H36F2N2O4 and a molecular weight of 454.56 g/mol. Its IUPAC name is benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate
PubChem CID14720130
Molecular FormulaC24H36F2N2O4
Molecular Weight454.56 g/mol
Exact Mass454.26
IUPAC Namebenzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate
SMILESCC(C)CC(=O)NCC(F)(F)C(O)C(CC1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C24H36F2N2O4/c1-17(2)13-21(29)27-16-24(25,26)22(30)20(14-18-9-5-3-6-10-18)28-23(31)32-15-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20,22,30H,3,5-6,9-10,13-16H2,1-2H3,(H,27,29)(H,28,31)
InChIKeySNCAGFLNKYKMPS-UHFFFAOYSA-N
XLogP4.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate with MolForge

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Related Compounds

benzyl N-[5-[[2-(benzylcarbamoyl)-3-methylbutanoyl]amino]-1-cyclohexyl-4,4-difluoro-3-hydroxypentan-2-yl]carbamate
CID 14720124
benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate
CID 57124471
benzyl N-[2,2-difluoro-3-hydroxy-6-methyl-1-[[4-methyl-2-(3-phenylpropyl)pentanoyl]amino]heptan-4-yl]carbamate
CID 14720136
benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
CID 67190825
methyl 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 67247253
4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid
CID 69295761
benzyl N-[(3S)-1-[cyclohexyl(methyl)amino]-2-hydroxy-5-methylhexan-3-yl]carbamate
CID 22879556
benzyl N-[(2S,3S)-1-cyclohexyl-4-[(4R)-5,5-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutan-2-yl]carbamate
CID 67800537
benzyl N-[(2S)-1-[[1-cyclohexyl-4,4-difluoro-5-(2-methylbutylamino)-3,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 100979465
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
[(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate
CID 10383854

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate (CID 14720130) is benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate is CC(C)CC(=O)NCC(F)(F)C(O)C(CC1CCCCC1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate?
The InChIKey is SNCAGFLNKYKMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2N2O4/c1-17(2)13-21(29)27-16-24(25,26)22(30)20(14-18-9-5-3-6-10-18)28-23(31)32-15-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20,22,30H,3,5-6,9-10,13-16H2,1-2H3,(H,27,29)(H,28,31).
What are the key properties of benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate?
benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate has a molecular weight of 454.56 g/mol, XLogP of 4.41, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate is sourced from PubChem (CID 14720130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).