tert-butyl N-methyl-N-(3-oxobutyl)carbamate

C10H19NO3 — CID 23589007

IUPACtert-butyl N-methyl-N-(3-oxobutyl)carbamate
SMILESCC(=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-8(12)6-7-11(5)9(13)14-10(2,3)4/h6-7H2,1-5H3
InChIKeyXIYYCJHSYGWXMA-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.83
Rot. Bonds3

About tert-butyl N-methyl-N-(3-oxobutyl)carbamate

tert-butyl N-methyl-N-(3-oxobutyl)carbamate (PubChem CID 23589007) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-oxobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(3-oxobutyl)carbamate
PubChem CID23589007
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-methyl-N-(3-oxobutyl)carbamate
SMILESCC(=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-8(12)6-7-11(5)9(13)14-10(2,3)4/h6-7H2,1-5H3
InChIKeyXIYYCJHSYGWXMA-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-oxopiperidine-1-carboxylate
CID 735900
tert-butyl N-methyl-N-(3-oxopropyl)carbamate
CID 10442454
1,1-Dimethylethyl N-methyl-N-(2-oxopropyl)carbamate
CID 12121517
tert-Butyl 3-acetylazetidine-1-carboxylate
CID 59841137
tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate
CID 105452175
tert-butyl N-methyl-N-(2-methylpropyl)carbamate
CID 11095337
tert-Butyl ethyl(methyl)carbamate
CID 14271611
tert-butyl N-methyl-N-propylcarbamate
CID 14271612
tert-butyl N-butyl-N-methylcarbamate
CID 18005800
Tert-butyl 4-(3-oxobutyl)piperazine-1-carboxylate
CID 23081416
tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate
CID 123755000
tert-butyl N-(4-fluorobutyl)-N-methylcarbamate
CID 163211460

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(3-oxobutyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(3-oxobutyl)carbamate (CID 23589007) is tert-butyl N-methyl-N-(3-oxobutyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(3-oxobutyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(3-oxobutyl)carbamate is CC(=O)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(3-oxobutyl)carbamate?
The InChIKey is XIYYCJHSYGWXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(12)6-7-11(5)9(13)14-10(2,3)4/h6-7H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(3-oxobutyl)carbamate?
tert-butyl N-methyl-N-(3-oxobutyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(3-oxobutyl)carbamate is sourced from PubChem (CID 23589007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).