tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate

C22H39NO5 — CID 14989074

IUPACtert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate
SMILESCCC(O)(CC)[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C22H39NO5/c1-6-22(26,7-2)16-14-18(27-19(16)24)17(13-15-11-9-8-10-12-15)23-20(25)28-21(3,4)5/h15-18,26H,6-14H2,1-5H3,(H,23,25)/t16-,17+,18+/m1/s1
InChIKeyGTIWTVOYGAQIHS-SQNIBIBYSA-N
MW397.56 g/mol
LogP4.33
Rot. Bonds7

About tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate

tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate (PubChem CID 14989074) has the molecular formula C22H39NO5 and a molecular weight of 397.56 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate
PubChem CID14989074
Molecular FormulaC22H39NO5
Molecular Weight397.56 g/mol
Exact Mass397.28
IUPAC Nametert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate
SMILESCCC(O)(CC)[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C22H39NO5/c1-6-22(26,7-2)16-14-18(27-19(16)24)17(13-15-11-9-8-10-12-15)23-20(25)28-21(3,4)5/h15-18,26H,6-14H2,1-5H3,(H,23,25)/t16-,17+,18+/m1/s1
InChIKeyGTIWTVOYGAQIHS-SQNIBIBYSA-N
XLogP4.33
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S)-3-methyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 10989767
tert-butyl N-[(1S)-3-methyl-1-[(2S)-5-oxooxolan-2-yl]butyl]carbamate
CID 11054783
tert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate
CID 14076787
(2s,4s,5s)-5-(t-Butoxycarbonylamino)-4-hydroxy-2-isopropyl-7-methyloctanoic acid
CID 14083148
tert-butyl N-[(1S)-3-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 12042859
(5S)-5-[(1S)-1-(N-t-butoxycarbonylamino)-2-cyclohexylethyl]dihydrofuran-2(3H)-one
CID 10946873
(3R, 5S)-5-[(1S)-1-(t-Butoxycarbonyl)amino-2-cyclohexylethyl]-3-methyldihydrofuran-2(3H)-one
CID 11023821
Ethyl 5-cyclohexyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 13911717
ethyl (3S,4S)-5-cyclohexyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 13911718
tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate
CID 14076769
tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate
CID 14076773
tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate
CID 14076774

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate (CID 14989074) is tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate is CCC(O)(CC)[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)OC1=O.
What is the InChIKey of tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate?
The InChIKey is GTIWTVOYGAQIHS-SQNIBIBYSA-N. The full InChI is InChI=1S/C22H39NO5/c1-6-22(26,7-2)16-14-18(27-19(16)24)17(13-15-11-9-8-10-12-15)23-20(25)28-21(3,4)5/h15-18,26H,6-14H2,1-5H3,(H,23,25)/t16-,17+,18+/m1/s1.
What are the key properties of tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate?
tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate has a molecular weight of 397.56 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4S)-4-(3-hydroxypentan-3-yl)-5-oxooxolan-2-yl]ethyl]carbamate is sourced from PubChem (CID 14989074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).