tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate

C19H37NO5 — CID 14478742

IUPACtert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate
SMILESCC(C)C(O)C(O)C(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO5/c1-12(2)15(21)17(23)16(22)14(11-13-9-7-6-8-10-13)20-18(24)25-19(3,4)5/h12-17,21-23H,6-11H2,1-5H3,(H,20,24)
InChIKeyPXICOCCJFDVNDD-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.59
Rot. Bonds7

About tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate

tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate (PubChem CID 14478742) has the molecular formula C19H37NO5 and a molecular weight of 359.51 g/mol. Its IUPAC name is tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate
PubChem CID14478742
Molecular FormulaC19H37NO5
Molecular Weight359.51 g/mol
Exact Mass359.27
IUPAC Nametert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate
SMILESCC(C)C(O)C(O)C(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO5/c1-12(2)15(21)17(23)16(22)14(11-13-9-7-6-8-10-13)20-18(24)25-19(3,4)5/h12-17,21-23H,6-11H2,1-5H3,(H,20,24)
InChIKeyPXICOCCJFDVNDD-UHFFFAOYSA-N
XLogP2.59
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-4-cyclohexyl-2-hydroxybutyl]amino}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
CID 455710
tert-butyl N-[(2S,3S)-1-[[(2S,3S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 18654288
(S)-(-)-2-(tert-Butoxycarbonylamino)-3-cyclohexyl-1-propanol
CID 11043405
tert-butyl N-[(3R)-1-cyclohexyl-4-[[(2R)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate
CID 44294557
{1-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid tert-butyl ester
CID 90662860
N-Boc-L-cyclohexylglycinol
CID 16217740
tert-butyl N-[(2S,3S)-1,2-dihydroxyheptadecan-3-yl]carbamate
CID 44380480
(2S,3R,4S)-2-[(tert-Butyloxycarbonyl)amino]-1-cyclohexyl-3,4-dihydroxy-6-methylheptane
CID 9974740
N-Boc-D-cyclohexylglycinol
CID 12194289
tert-butyl N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)carbamate
CID 14012614
Tert-butyl N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]carbamate
CID 11004275
tert-Butyl (1-cyclohexyl-2-hydroxyethyl)carbamate
CID 22037861

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate (CID 14478742) is tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate is CC(C)C(O)C(O)C(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate?
The InChIKey is PXICOCCJFDVNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO5/c1-12(2)15(21)17(23)16(22)14(11-13-9-7-6-8-10-13)20-18(24)25-19(3,4)5/h12-17,21-23H,6-11H2,1-5H3,(H,20,24).
What are the key properties of tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate?
tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate has a molecular weight of 359.51 g/mol, XLogP of 2.59, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclohexyl-3,4,5-trihydroxy-6-methylheptan-2-yl)carbamate is sourced from PubChem (CID 14478742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).