tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate

C19H24N2O4 — CID 163830103

IUPACtert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC[C@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O4/c1-19(2,3)25-18(24)20-14-10-6-7-11-15(14)21-16(22)12-8-4-5-9-13(12)17(21)23/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3,(H,20,24)/t14?,15-/m1/s1
InChIKeyOCYHKWRRLRHYDF-YSSOQSIOSA-N
MW344.41 g/mol
LogP3.12
Rot. Bonds2

About tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate

tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate (PubChem CID 163830103) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
PubChem CID163830103
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nametert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC[C@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O4/c1-19(2,3)25-18(24)20-14-10-6-7-11-15(14)21-16(22)12-8-4-5-9-13(12)17(21)23/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3,(H,20,24)/t14?,15-/m1/s1
InChIKeyOCYHKWRRLRHYDF-YSSOQSIOSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate
CID 131732939
cis-(1,3-dioxoisoindol-2-yl) (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctane-1-carboxylate
CID 178195175
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexyl]carbamate
CID 23298141
tert-butyl N-[(1R,2R)-2-(2-aminoanilino)cyclohexyl]carbamate
CID 134843665
tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
CID 168698667
(1,3-dioxoisoindol-2-yl) 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 170335608
tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate
CID 142943619
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate (CID 163830103) is tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC[C@H]1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate?
The InChIKey is OCYHKWRRLRHYDF-YSSOQSIOSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(2,3)25-18(24)20-14-10-6-7-11-15(14)21-16(22)12-8-4-5-9-13(12)17(21)23/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3,(H,20,24)/t14?,15-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate?
tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate has a molecular weight of 344.41 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate is sourced from PubChem (CID 163830103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).