tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate

C20H36N2O3 — CID 175433446

IUPACtert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(N)=O)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36N2O3/c1-20(2,3)25-19(24)22-17(18(21)23)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-17H,4-13H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyAIEJTDLMUZNCFE-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.14
Rot. Bonds5

About tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate

tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate (PubChem CID 175433446) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate
PubChem CID175433446
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Nametert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(N)=O)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36N2O3/c1-20(2,3)25-19(24)22-17(18(21)23)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-17H,4-13H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyAIEJTDLMUZNCFE-UHFFFAOYSA-N
XLogP4.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate
CID 166470828
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 62666468
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
(2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 71073451
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
tert-butyl N-[(2S)-1-[(2-bromopyrimidin-5-yl)amino]-3,3-dicyclohexyl-1-oxopropan-2-yl]carbamate
CID 175433675
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 102037529
methyl 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 67023505
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate (CID 175433446) is tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(C(N)=O)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate?
The InChIKey is AIEJTDLMUZNCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-20(2,3)25-19(24)22-17(18(21)23)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-17H,4-13H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate?
tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate has a molecular weight of 352.52 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate is sourced from PubChem (CID 175433446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).