propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate

C14H27NO3 — CID 58331813

IUPACpropan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
SMILESCC(C)OC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO3/c1-9(2)18-12(17)15-10(13(3,4)5)11(16)14(6,7)8/h9-10H,1-8H3,(H,15,17)
InChIKeyWUADTFNOEZOZQE-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.15
Rot. Bonds3

About propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate

propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate (PubChem CID 58331813) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
PubChem CID58331813
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namepropan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
SMILESCC(C)OC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO3/c1-9(2)18-12(17)15-10(13(3,4)5)11(16)14(6,7)8/h9-10H,1-8H3,(H,15,17)
InChIKeyWUADTFNOEZOZQE-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2,2,5,5-tetramethyl-4-(propan-2-ylamino)hexan-3-one
CID 59750018
cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
CID 58938797
tert-butyl (2R)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoate
CID 113331474
3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide
CID 58938787
(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929128
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
propan-2-yl N-[1-[(2S)-2-(methoxymethyl)-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 70317211
(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoate
CID 27282404
methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88576811
4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
CID 114463001
2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 66174218

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate?
The IUPAC name of propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate (CID 58331813) is propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate?
The canonical SMILES for propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate is CC(C)OC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate?
The InChIKey is WUADTFNOEZOZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-9(2)18-12(17)15-10(13(3,4)5)11(16)14(6,7)8/h9-10H,1-8H3,(H,15,17).
What are the key properties of propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate?
propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate has a molecular weight of 257.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate is sourced from PubChem (CID 58331813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).