2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide

C14H19ClN6O3 — CID 4727524

IUPAC2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
SMILESCCOc1cc(CNc2nnnn2CC)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C14H19ClN6O3/c1-3-21-14(18-19-20-21)17-7-9-5-10(15)13(24-8-12(16)22)11(6-9)23-4-2/h5-6H,3-4,7-8H2,1-2H3,(H2,16,22)(H,17,18,20)
InChIKeyIYEYRWITEMQCTM-UHFFFAOYSA-N
MW354.80 g/mol
LogP1.22
Rot. Bonds9

About 2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide

2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide (PubChem CID 4727524) has the molecular formula C14H19ClN6O3 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
PubChem CID4727524
Molecular FormulaC14H19ClN6O3
Molecular Weight354.80 g/mol
Exact Mass354.12
IUPAC Name2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
SMILESCCOc1cc(CNc2nnnn2CC)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C14H19ClN6O3/c1-3-21-14(18-19-20-21)17-7-9-5-10(15)13(24-8-12(16)22)11(6-9)23-4-2/h5-6H,3-4,7-8H2,1-2H3,(H2,16,22)(H,17,18,20)
InChIKeyIYEYRWITEMQCTM-UHFFFAOYSA-N
XLogP1.22
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4726595
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726668
2-[2-chloro-6-ethoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539378
2-[2-chloro-6-ethoxy-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]acetamide
CID 964295
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4720829
2-[2-chloro-6-ethoxy-4-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]phenoxy]acetamide
CID 4724748
2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4721368
2-[2-chloro-6-ethoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4720831
2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17293050
2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride
CID 17295349
2-[2-chloro-6-ethoxy-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
CID 6501980
2-[2-chloro-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetic acid
CID 102535900

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide (CID 4727524) is 2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide is CCOc1cc(CNc2nnnn2CC)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is IYEYRWITEMQCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O3/c1-3-21-14(18-19-20-21)17-7-9-5-10(15)13(24-8-12(16)22)11(6-9)23-4-2/h5-6H,3-4,7-8H2,1-2H3,(H2,16,22)(H,17,18,20).
What are the key properties of 2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 354.80 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 4727524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).