tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate

C13H26N4O3 — CID 175990105

IUPACtert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate
SMILESCN(C)CCNC(=O)N1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N4O3/c1-13(2,3)20-12(19)15-10-8-17(9-10)11(18)14-6-7-16(4)5/h10H,6-9H2,1-5H3,(H,14,18)(H,15,19)
InChIKeyNEXOIQXQKGDDQK-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.47
Rot. Bonds4

About tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate

tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate (PubChem CID 175990105) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate
PubChem CID175990105
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Nametert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate
SMILESCN(C)CCNC(=O)N1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N4O3/c1-13(2,3)20-12(19)15-10-8-17(9-10)11(18)14-6-7-16(4)5/h10H,6-9H2,1-5H3,(H,14,18)(H,15,19)
InChIKeyNEXOIQXQKGDDQK-UHFFFAOYSA-N
XLogP0.47
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]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

tert-butyl N-[1-[N'-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730353
tert-butyl N-(1-propanoylazetidin-3-yl)carbamate
CID 163264454
tert-butyl N-[1-[N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729253
tert-butyl N-[1-[N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730102
tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
CID 146600918
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate
CID 163374886
tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
CID 94193162
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
tert-butyl N-[1-(N'-methyl-N-prop-2-ynylcarbamimidoyl)pyrrolidin-3-yl]carbamate
CID 111730097
tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate
CID 94648216

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate (CID 175990105) is tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate is CN(C)CCNC(=O)N1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate?
The InChIKey is NEXOIQXQKGDDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-13(2,3)20-12(19)15-10-8-17(9-10)11(18)14-6-7-16(4)5/h10H,6-9H2,1-5H3,(H,14,18)(H,15,19).
What are the key properties of tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate?
tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate has a molecular weight of 286.38 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 175990105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).