tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate

C16H26N2O4 — CID 10710098

IUPACtert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate
SMILESCNCCOc1ccc(CNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C16H26N2O4/c1-16(2,3)22-15(19)18-11-12-6-7-13(14(10-12)20-5)21-9-8-17-4/h6-7,10,17H,8-9,11H2,1-5H3,(H,18,19)
InChIKeyKQLXGOGIDKCVFP-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.32
Rot. Bonds7

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

tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate (PubChem CID 10710098) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate
PubChem CID10710098
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nametert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate
SMILESCNCCOc1ccc(CNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C16H26N2O4/c1-16(2,3)22-15(19)18-11-12-6-7-13(14(10-12)20-5)21-9-8-17-4/h6-7,10,17H,8-9,11H2,1-5H3,(H,18,19)
InChIKeyKQLXGOGIDKCVFP-UHFFFAOYSA-N
XLogP2.32
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 77230394
tert-butyl N-[(4-methoxy-3-nitrophenyl)methyl]carbamate
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CID 23563104
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tert-butyl N-[2-[4-[2-(3-iodoanilino)-2-oxoethyl]-2-methoxyphenoxy]ethyl]carbamate
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tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
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2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate (CID 10710098) is tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate is CNCCOc1ccc(CNC(=O)OC(C)(C)C)cc1OC.
What is the InChIKey of tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate?
The InChIKey is KQLXGOGIDKCVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-16(2,3)22-15(19)18-11-12-6-7-13(14(10-12)20-5)21-9-8-17-4/h6-7,10,17H,8-9,11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate?
tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate has a molecular weight of 310.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate is sourced from PubChem (CID 10710098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).