tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate

C16H26N2O4 — CID 103920808

IUPACtert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
SMILESCOc1ccc(O)c(CNCCN(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O4/c1-16(2,3)22-15(20)18(4)9-8-17-11-12-10-13(21-5)6-7-14(12)19/h6-7,10,17,19H,8-9,11H2,1-5H3
InChIKeyDCTFMLWQQZBTOY-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.36
Rot. Bonds6

About tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate (PubChem CID 103920808) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
PubChem CID103920808
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nametert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
SMILESCOc1ccc(O)c(CNCCN(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O4/c1-16(2,3)22-15(20)18(4)9-8-17-11-12-10-13(21-5)6-7-14(12)19/h6-7,10,17,19H,8-9,11H2,1-5H3
InChIKeyDCTFMLWQQZBTOY-UHFFFAOYSA-N
XLogP2.36
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate 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-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953303
tert-butyl N-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953299
tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate
CID 103638800
tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate
CID 104582196
tert-butyl N-[(E)-4-[(2-hydroxy-5-methoxyphenyl)methylamino]but-2-enyl]carbamate
CID 107253246
tert-butyl N-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107738040
tert-butyl N-[1-[(2-hydroxy-5-methoxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250677
tert-butyl N-[3-[(2-bromo-5-methoxyphenyl)methylamino]-2-methylpropyl]-N-methylcarbamate
CID 114077661
tert-butyl N-[2-[(3-fluoro-5-hydroxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 104878956
tert-butyl N-[2-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-N-methylcarbamate
CID 111732085
tert-butyl N-[2-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-N-methylcarbamate;hydroiodide
CID 111732084
tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane
CID 162438051

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate (CID 103920808) is tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate is COc1ccc(O)c(CNCCN(C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate?
The InChIKey is DCTFMLWQQZBTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-16(2,3)22-15(20)18(4)9-8-17-11-12-10-13(21-5)6-7-14(12)19/h6-7,10,17,19H,8-9,11H2,1-5H3.
What are the key properties of tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate has a molecular weight of 310.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 103920808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).