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

C17H26N2O3 — CID 107242534

IUPACtert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate
SMILESCCN(Cc1cccc(NC2COC2)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-5-19(16(20)22-17(2,3)4)10-13-7-6-8-14(9-13)18-15-11-21-12-15/h6-9,15,18H,5,10-12H2,1-4H3
InChIKeyGBCUEUJWFHRTBM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.25
Rot. Bonds5

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

tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate (PubChem CID 107242534) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate
PubChem CID107242534
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate
SMILESCCN(Cc1cccc(NC2COC2)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-5-19(16(20)22-17(2,3)4)10-13-7-6-8-14(9-13)18-15-11-21-12-15/h6-9,15,18H,5,10-12H2,1-4H3
InChIKeyGBCUEUJWFHRTBM-UHFFFAOYSA-N
XLogP3.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate
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tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
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tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
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tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
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tert-butyl N-[(3,4-dihydroxyphenyl)methyl]-N-ethylcarbamate
CID 142731266
tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate
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tert-butyl N-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcarbamate
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tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate
CID 155923548

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate (CID 107242534) is tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate is CCN(Cc1cccc(NC2COC2)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate?
The InChIKey is GBCUEUJWFHRTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-19(16(20)22-17(2,3)4)10-13-7-6-8-14(9-13)18-15-11-21-12-15/h6-9,15,18H,5,10-12H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate?
tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 107242534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).