N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine

C26H39NO3 — CID 139455024

IUPACN,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine
SMILESCOCC(C)(C)OCCC(C)(C)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H39NO3/c1-25(2,16-18-29-26(3,4)22-28-5)30-19-17-27(20-23-12-8-6-9-13-23)21-24-14-10-7-11-15-24/h6-15H,16-22H2,1-5H3
InChIKeyVAVQBPMILFVVNV-UHFFFAOYSA-N
MW413.60 g/mol
LogP5.32
Rot. Bonds14

About N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine

N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine (PubChem CID 139455024) has the molecular formula C26H39NO3 and a molecular weight of 413.60 g/mol. Its IUPAC name is N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine
PubChem CID139455024
Molecular FormulaC26H39NO3
Molecular Weight413.60 g/mol
Exact Mass413.29
IUPAC NameN,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine
SMILESCOCC(C)(C)OCCC(C)(C)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H39NO3/c1-25(2,16-18-29-26(3,4)22-28-5)30-19-17-27(20-23-12-8-6-9-13-23)21-24-14-10-7-11-15-24/h6-15H,16-22H2,1-5H3
InChIKeyVAVQBPMILFVVNV-UHFFFAOYSA-N
XLogP5.32
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.60
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane
CID 157145048
4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol
CID 171081655
1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 131049038
2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine
CID 126587452
N-benzyl-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 47013131
N,N-dibenzylpropan-1-amine
CID 10840212
2-(dibenzylamino)ethyl formate
CID 24829039
N-benzyl-N-(methoxymethyl)propan-1-amine
CID 90983787
2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
CID 130158297
N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 60538872
N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine
CID 86616987
[2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene
CID 143148556

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine?
The IUPAC name of N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine (CID 139455024) is N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine.
What is the SMILES notation for N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine?
The canonical SMILES for N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine is COCC(C)(C)OCCC(C)(C)OCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine?
The InChIKey is VAVQBPMILFVVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO3/c1-25(2,16-18-29-26(3,4)22-28-5)30-19-17-27(20-23-12-8-6-9-13-23)21-24-14-10-7-11-15-24/h6-15H,16-22H2,1-5H3.
What are the key properties of N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine?
N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine has a molecular weight of 413.60 g/mol, XLogP of 5.32, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine is sourced from PubChem (CID 139455024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).