tert-butyl N-methyl-N-(4-oxobutyl)carbamate

C10H19NO3 — CID 15078448

IUPACtert-butyl N-methyl-N-(4-oxobutyl)carbamate
SMILESCN(CCCC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11(4)7-5-6-8-12/h8H,5-7H2,1-4H3
InChIKeyVSKKUZCPADUNJU-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.83
Rot. Bonds4

About tert-butyl N-methyl-N-(4-oxobutyl)carbamate

tert-butyl N-methyl-N-(4-oxobutyl)carbamate (PubChem CID 15078448) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4-oxobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4-oxobutyl)carbamate
PubChem CID15078448
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-methyl-N-(4-oxobutyl)carbamate
SMILESCN(CCCC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11(4)7-5-6-8-12/h8H,5-7H2,1-4H3
InChIKeyVSKKUZCPADUNJU-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate
CID 1514342
(+-)-1-(tert-Butoxycarbonyl)pyrrolidine-3-carboxaldehyde
CID 4692112
tert-butyl N-methyl-N-(3-oxopropyl)carbamate
CID 10442454
tert-butyl N-[(tert-butoxy)carbonyl]-N-(4-oxobutyl)carbamate
CID 10891497
tert-Butyl 3-(2-oxoethyl)azetidine-1-carboxylate
CID 53415272
Carbamic acid, (2,2-dimethyl-3-oxopropyl)methyl-, 1,1-dimethylethyl ester
CID 87918870
1-Azetidinecarboxylic acid, 3-methyl-3-(2-oxoethyl)-, 1,1-dimethylethyl ester
CID 89081924
Carbamic acid, N-methyl-N-(5-oxopentyl)-, 1,1-dimethylethyl ester
CID 118519664
Tert-butyl 3-(1-oxopropan-2-yl)azetidine-1-carboxylate
CID 83909851
tert-Butyl (4-oxobutyl)carbamate
CID 15534785
(S)-tert-butyl 3-formylpyrrolidine-1-carboxylate
CID 1514343
tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate
CID 146267099

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4-oxobutyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4-oxobutyl)carbamate (CID 15078448) is tert-butyl N-methyl-N-(4-oxobutyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4-oxobutyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4-oxobutyl)carbamate is CN(CCCC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(4-oxobutyl)carbamate?
The InChIKey is VSKKUZCPADUNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11(4)7-5-6-8-12/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(4-oxobutyl)carbamate?
tert-butyl N-methyl-N-(4-oxobutyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.83, 4 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-(4-oxobutyl)carbamate is sourced from PubChem (CID 15078448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).