tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate

C17H26N2O4 — CID 107239723

IUPACtert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(NCC2(C)COC2)c1
InChIInChI=1S/C17H26N2O4/c1-16(2,3)23-15(20)19-13-7-6-12(21-5)8-14(13)18-9-17(4)10-22-11-17/h6-8,18H,9-11H2,1-5H3,(H,19,20)
InChIKeyBFVNEAZWIZOBNX-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.49
Rot. Bonds5

About tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate

tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate (PubChem CID 107239723) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
PubChem CID107239723
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(NCC2(C)COC2)c1
InChIInChI=1S/C17H26N2O4/c1-16(2,3)23-15(20)19-13-7-6-12(21-5)8-14(13)18-9-17(4)10-22-11-17/h6-8,18H,9-11H2,1-5H3,(H,19,20)
InChIKeyBFVNEAZWIZOBNX-UHFFFAOYSA-N
XLogP3.49
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239965
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683
tert-butyl N-[4-methoxy-2-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107239738
tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate
CID 107239747
tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate
CID 107239711
tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate
CID 60556997
tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
CID 67684676
tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
CID 71540754
tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane
CID 143915168
tert-butyl N-[2-[(3-aminocyclopentyl)amino]-4-methoxyphenyl]carbamate
CID 107239722
tert-butyl N-[4-methoxy-2-[(1-methylpyrrolidin-3-yl)amino]phenyl]carbamate
CID 107239677
1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 113235126

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate (CID 107239723) is tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate is COc1ccc(NC(=O)OC(C)(C)C)c(NCC2(C)COC2)c1.
What is the InChIKey of tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate?
The InChIKey is BFVNEAZWIZOBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-16(2,3)23-15(20)19-13-7-6-12(21-5)8-14(13)18-9-17(4)10-22-11-17/h6-8,18H,9-11H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate?
tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 107239723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).