tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate

C22H41NO4 — CID 10548019

IUPACtert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate
SMILESCC(C)[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C22H41NO4/c1-15(2)18-14-19(26-22(6,7)25-18)17(13-16-11-9-8-10-12-16)23-20(24)27-21(3,4)5/h15-19H,8-14H2,1-7H3,(H,23,24)/t17-,18-,19-/m0/s1
InChIKeyQVHNJWPGNBGYCM-FHWLQOOXSA-N
MW383.57 g/mol
LogP5.42
Rot. Bonds5

About tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate

tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate (PubChem CID 10548019) has the molecular formula C22H41NO4 and a molecular weight of 383.57 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate
PubChem CID10548019
Molecular FormulaC22H41NO4
Molecular Weight383.57 g/mol
Exact Mass383.30
IUPAC Nametert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate
SMILESCC(C)[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C22H41NO4/c1-15(2)18-14-19(26-22(6,7)25-18)17(13-16-11-9-8-10-12-16)23-20(24)27-21(3,4)5/h15-19H,8-14H2,1-7H3,(H,23,24)/t17-,18-,19-/m0/s1
InChIKeyQVHNJWPGNBGYCM-FHWLQOOXSA-N
XLogP5.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.57
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamate
CID 143558141
tert-butyl N-[1-[4-(4-bromobut-2-enyl)-5-oxooxolan-2-yl]-2-cyclohexylethyl]carbamate
CID 54107649
tert-butyl N-[(2S,3S,4S,5S)-1,6-dicyclohexyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 15093368
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
tert-butyl N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]carbamate
CID 101197526
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
tert-butyl N-[(2S,3R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl]carbamate
CID 139674733
[(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid
CID 68709377
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamate
CID 59382980

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate (CID 10548019) is tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate is CC(C)[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)OC(C)(C)O1.
What is the InChIKey of tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate?
The InChIKey is QVHNJWPGNBGYCM-FHWLQOOXSA-N. The full InChI is InChI=1S/C22H41NO4/c1-15(2)18-14-19(26-22(6,7)25-18)17(13-16-11-9-8-10-12-16)23-20(24)27-21(3,4)5/h15-19H,8-14H2,1-7H3,(H,23,24)/t17-,18-,19-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate?
tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate has a molecular weight of 383.57 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-cyclohexyl-1-[(4S,6S)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]ethyl]carbamate is sourced from PubChem (CID 10548019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).