tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate

C14H28N2O2 — CID 123739137

IUPACtert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate
SMILESCCCN(CC1NCC1CC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-6-8-16(13(17)18-14(3,4)5)10-12-11(7-2)9-15-12/h11-12,15H,6-10H2,1-5H3
InChIKeyFERGISGFCRZNOD-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds5

About tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate

tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate (PubChem CID 123739137) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate
PubChem CID123739137
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate
SMILESCCCN(CC1NCC1CC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-6-8-16(13(17)18-14(3,4)5)10-12-11(7-2)9-15-12/h11-12,15H,6-10H2,1-5H3
InChIKeyFERGISGFCRZNOD-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate 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

tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate
CID 167201325
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate
CID 165468562
tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane
CID 144770393
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-[2-(cyclohexylmethylamino)ethyl]-N-propylcarbamate
CID 107246090
tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
CID 107246252
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
CID 170277244
tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate
CID 107246109
tert-butyl N-(5-oxoheptyl)-N-propylcarbamate
CID 89128098
tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
CID 103846720

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate (CID 123739137) is tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate is CCCN(CC1NCC1CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate?
The InChIKey is FERGISGFCRZNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-8-16(13(17)18-14(3,4)5)10-12-11(7-2)9-15-12/h11-12,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate?
tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-ethylazetidin-2-yl)methyl]-N-propylcarbamate is sourced from PubChem (CID 123739137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).