N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide

C16H24N6O3 — CID 17057628

IUPACN-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
SMILESCOc1cccc(CNc2nnnn2C)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C16H24N6O3/c1-16(2,3)18-13(23)10-25-14-11(7-6-8-12(14)24-5)9-17-15-19-20-21-22(15)4/h6-8H,9-10H2,1-5H3,(H,18,23)(H,17,19,21)
InChIKeyQSCQSZHRAFRMHV-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.12
Rot. Bonds7

About N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide

N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide (PubChem CID 17057628) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
PubChem CID17057628
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC NameN-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
SMILESCOc1cccc(CNc2nnnn2C)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C16H24N6O3/c1-16(2,3)18-13(23)10-25-14-11(7-6-8-12(14)24-5)9-17-15-19-20-21-22(15)4/h6-8H,9-10H2,1-5H3,(H,18,23)(H,17,19,21)
InChIKeyQSCQSZHRAFRMHV-UHFFFAOYSA-N
XLogP1.12
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide with MolForge

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Related Compounds

N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
CID 17057784
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 17053395
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053394
N-tert-butyl-2-[2-methoxy-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 6471852
N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
CID 6472728
N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
CID 17053479
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
2-[2-methoxy-6-(methylaminomethyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486522
N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride
CID 17053452
N-tert-butyl-2-[2-methoxy-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17053447
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727571

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide (CID 17057628) is N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide is COc1cccc(CNc2nnnn2C)c1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is QSCQSZHRAFRMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-16(2,3)18-13(23)10-25-14-11(7-6-8-12(14)24-5)9-17-15-19-20-21-22(15)4/h6-8H,9-10H2,1-5H3,(H,18,23)(H,17,19,21).
What are the key properties of N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 348.41 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 17057628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).