tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate

C15H24N2O4 — CID 117477647

IUPACtert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate
SMILESCNCC(O)c1ccc(NC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17-11-7-6-10(8-13(11)20-5)12(18)9-16-4/h6-8,12,16,18H,9H2,1-5H3,(H,17,19)
InChIKeyTYZMATZROMQDFO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.30
Rot. Bonds5

About tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate

tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate (PubChem CID 117477647) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate
PubChem CID117477647
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate
SMILESCNCC(O)c1ccc(NC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17-11-7-6-10(8-13(11)20-5)12(18)9-16-4/h6-8,12,16,18H,9H2,1-5H3,(H,17,19)
InChIKeyTYZMATZROMQDFO-UHFFFAOYSA-N
XLogP2.30
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117477516
tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate
CID 103776035
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
tert-butyl N-[4-(chloromethyl)-2-methoxyphenyl]carbamate
CID 117236540
1-(4-bromo-3-methoxyphenyl)-2-(methylamino)ethanol
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CID 117451587
tert-butyl N-[2-[[4-[2-[(3,4-dimethoxybenzoyl)amino]-1-hydroxyethyl]benzoyl]amino]phenyl]carbamate
CID 20786185
tert-butyl N-[2-methoxy-4-(2-oxopentyl)phenyl]carbamate
CID 70242201
tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]carbamate
CID 117472268
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640
tert-butyl N-[2-methoxy-4-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107241079

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate (CID 117477647) is tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate is CNCC(O)c1ccc(NC(=O)OC(C)(C)C)c(OC)c1.
What is the InChIKey of tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate?
The InChIKey is TYZMATZROMQDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17-11-7-6-10(8-13(11)20-5)12(18)9-16-4/h6-8,12,16,18H,9H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate?
tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate is sourced from PubChem (CID 117477647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).