tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate

C14H25NO3 — CID 140993360

IUPACtert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](C=O)N(C(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-11(10-16)15(12-8-6-5-7-9-12)13(17)18-14(2,3)4/h10-12H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyCVXUYYULENWBTP-LLVKDONJSA-N
MW255.36 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate

tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate (PubChem CID 140993360) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate
PubChem CID140993360
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](C=O)N(C(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-11(10-16)15(12-8-6-5-7-9-12)13(17)18-14(2,3)4/h10-12H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyCVXUYYULENWBTP-LLVKDONJSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylcyclohexanamine;2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 67708321
(2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 18658340
tert-butyl N-cyclohexyl-N-[(E)-3-oxoprop-1-enyl]carbamate
CID 141158780
tert-butyl (2S)-2-[cyclohexyl(prop-2-enoyl)amino]propanoate
CID 70370984
tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate
CID 141352721
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 174593335
(2S)-2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;(2S)-3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 161176078
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate
CID 134922955
tert-butyl N-carbamoyl-N-cyclopentylcarbamate
CID 141307871
tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate
CID 165464943

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate (CID 140993360) is tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate is C[C@H](C=O)N(C(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate?
The InChIKey is CVXUYYULENWBTP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(10-16)15(12-8-6-5-7-9-12)13(17)18-14(2,3)4/h10-12H,5-9H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate?
tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 140993360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).