tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate

C13H25NO3 — CID 142256576

IUPACtert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate
SMILESCCN(CCC(C)C(C)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-7-14(9-8-10(2)11(3)15)12(16)17-13(4,5)6/h10H,7-9H2,1-6H3
InChIKeyRKIDMRHTWJOHEI-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.86
Rot. Bonds5

About tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate

tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate (PubChem CID 142256576) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate
PubChem CID142256576
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate
SMILESCCN(CCC(C)C(C)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-7-14(9-8-10(2)11(3)15)12(16)17-13(4,5)6/h10H,7-9H2,1-6H3
InChIKeyRKIDMRHTWJOHEI-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
CID 89026168
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
CID 89169679
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate
CID 142946494
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate
CID 122518879
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate
CID 107245361

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate (CID 142256576) is tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate is CCN(CCC(C)C(C)=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate?
The InChIKey is RKIDMRHTWJOHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-7-14(9-8-10(2)11(3)15)12(16)17-13(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate?
tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate is sourced from PubChem (CID 142256576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).