tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate

C14H20N2O3 — CID 107239827

IUPACtert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC2COC2)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-11-6-4-5-10(7-11)15-12-8-18-9-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyPCMNFEDHZXXBCC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.84
Rot. Bonds3

About tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate

tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate (PubChem CID 107239827) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
PubChem CID107239827
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC2COC2)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-11-6-4-5-10(7-11)15-12-8-18-9-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyPCMNFEDHZXXBCC-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(oxetan-3-ylamino)phenyl]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-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
CID 107239958
tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
CID 107239831
tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate
CID 107243444
tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate
CID 107239998
tert-butyl N-[1-(oxetan-3-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103744815
tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239965
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate
CID 68959408
tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate
CID 107242534

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate (CID 107239827) is tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(NC2COC2)c1.
What is the InChIKey of tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate?
The InChIKey is PCMNFEDHZXXBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-11-6-4-5-10(7-11)15-12-8-18-9-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate?
tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate is sourced from PubChem (CID 107239827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).