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

C16H29NO3 — CID 58938797

IUPACcyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
SMILESCC(C)(C)C(=O)C(NC(=O)OCC1CCC1)C(C)(C)C
InChIInChI=1S/C16H29NO3/c1-15(2,3)12(13(18)16(4,5)6)17-14(19)20-10-11-8-7-9-11/h11-12H,7-10H2,1-6H3,(H,17,19)
InChIKeyOAJXLURVVUWMFK-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.54
Rot. Bonds4

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

cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate (PubChem CID 58938797) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate.

Molecular Properties

Compound Namecyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
PubChem CID58938797
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namecyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
SMILESCC(C)(C)C(=O)C(NC(=O)OCC1CCC1)C(C)(C)C
InChIInChI=1S/C16H29NO3/c1-15(2,3)12(13(18)16(4,5)6)17-14(19)20-10-11-8-7-9-11/h11-12H,7-10H2,1-6H3,(H,17,19)
InChIKeyOAJXLURVVUWMFK-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentylmethyl 2-amino-3,3-dimethylbutanoate
CID 66321580
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(2R)-2-[(2-cyclobutylacetyl)amino]-3,3-dimethylbutanoic acid
CID 103162147
cyclopentylmethyl 2-amino-2-methylpropanoate
CID 66321792
cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate
CID 138046850
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 21366296
cyclopentylmethyl 2-aminobutanoate
CID 66322645
cyclopropylmethyl methyl carbonate
CID 54535586
methyl N-[(3S)-1-cyclooctyl-4-hydroxy-4-methyl-2-oxopentan-3-yl]carbamate
CID 163507458
cyclobutylmethyl N,N-dimethylcarbamate
CID 142239565

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate?
The IUPAC name of cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate (CID 58938797) is cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate.
What is the SMILES notation for cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate?
The canonical SMILES for cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate is CC(C)(C)C(=O)C(NC(=O)OCC1CCC1)C(C)(C)C.
What is the InChIKey of cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate?
The InChIKey is OAJXLURVVUWMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2,3)12(13(18)16(4,5)6)17-14(19)20-10-11-8-7-9-11/h11-12H,7-10H2,1-6H3,(H,17,19).
What are the key properties of cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate?
cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate has a molecular weight of 283.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate is sourced from PubChem (CID 58938797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).