tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate

C30H57N3O6 — CID 74972732

IUPACtert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)CNCC(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C30H57N3O6/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h21-26,31,34-35H,7-20H2,1-6H3,(H,32,36)(H,33,37)
InChIKeyGFTWFKGCSFRFOV-UHFFFAOYSA-N
MW555.80 g/mol
LogP5.03
Rot. Bonds12

About tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate

tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate (PubChem CID 74972732) has the molecular formula C30H57N3O6 and a molecular weight of 555.80 g/mol. Its IUPAC name is tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate
PubChem CID74972732
Molecular FormulaC30H57N3O6
Molecular Weight555.80 g/mol
Exact Mass555.42
IUPAC Nametert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)CNCC(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C30H57N3O6/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h21-26,31,34-35H,7-20H2,1-6H3,(H,32,36)(H,33,37)
InChIKeyGFTWFKGCSFRFOV-UHFFFAOYSA-N
XLogP5.03
TPSA129.15 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.80
LogP ≤ 55.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate with MolForge

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Launch Full Analysis

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
(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
N-Boc-L-cyclohexylglycinol
CID 16217740
tert-butyl N-[(2R,4R)-2-hydroxy-1-[[(2R,4S)-2-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]-4-methylhexan-3-yl]carbamate
CID 44294467
(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-[(1S,2R)-1-[(1R)-2-[[(2R,3S,4R)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-methyl-hexyl]amino]-1-hydroxy-ethyl]-2-methyl-butyl]carbamate
CID 455711
tert-butyl N-[2-hydroxy-1-[[2-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]-4-methylhexan-3-yl]carbamate
CID 49823265
(R)-N-Boc-2-cyclohexylethanolamine
CID 11021104
Tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate
CID 22037861
tert-butyl N-[1-(1-fluorocyclohexyl)-1-hydroxypropan-2-yl]carbamate
CID 69262463

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate (CID 74972732) is tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)CNCC(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate?
The InChIKey is GFTWFKGCSFRFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57N3O6/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h21-26,31,34-35H,7-20H2,1-6H3,(H,32,36)(H,33,37).
What are the key properties of tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate?
tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate has a molecular weight of 555.80 g/mol, XLogP of 5.03, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclohexyl-4-[[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 74972732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).