2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate

C13H25NO4 — CID 67185287

IUPAC2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate
SMILESCCC(C)(C)OC(=O)N(C)C(=O)OC(C)(C)CC
InChIInChI=1S/C13H25NO4/c1-8-12(3,4)17-10(15)14(7)11(16)18-13(5,6)9-2/h8-9H2,1-7H3
InChIKeySFRHTBOZFZXWNU-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.57
Rot. Bonds4

About 2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate

2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate (PubChem CID 67185287) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate
PubChem CID67185287
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate
SMILESCCC(C)(C)OC(=O)N(C)C(=O)OC(C)(C)CC
InChIInChI=1S/C13H25NO4/c1-8-12(3,4)17-10(15)14(7)11(16)18-13(5,6)9-2/h8-9H2,1-7H3
InChIKeySFRHTBOZFZXWNU-UHFFFAOYSA-N
XLogP3.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid
CID 143613180
2-methylbutan-2-yl carbonochloridate
CID 15051328
2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate
CID 67186562
bis(2-methylbutan-2-yl) 2-aminopropanedioate
CID 141226339
2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate
CID 141485215
CID 155769912
CID 155769912
2-methylbutan-2-yl 2-chloropropanoate
CID 523714
2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate
CID 140993287
2-methylbutan-2-yl 2-cyanoprop-2-enoate
CID 88732946
methoxycarbonyl 2-methylbutan-2-yl carbonate
CID 170252146
2-methylbutan-2-yl 2-(methylamino)acetate
CID 134215865
tert-butyl N-acetyl-N-methylcarbamate
CID 11052126

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
The IUPAC name of 2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate (CID 67185287) is 2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate is CCC(C)(C)OC(=O)N(C)C(=O)OC(C)(C)CC.
What is the InChIKey of 2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
The InChIKey is SFRHTBOZFZXWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-8-12(3,4)17-10(15)14(7)11(16)18-13(5,6)9-2/h8-9H2,1-7H3.
What are the key properties of 2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate has a molecular weight of 259.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate is sourced from PubChem (CID 67185287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).