2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide

C13H19ClN2O3 — CID 104664877

IUPAC2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(Cl)cc(CNC(C)C)c1OCC(N)=O
InChIInChI=1S/C13H19ClN2O3/c1-8(2)16-6-9-4-10(14)5-11(18-3)13(9)19-7-12(15)17/h4-5,8,16H,6-7H2,1-3H3,(H2,15,17)
InChIKeyUZLMDWOMJRDFBH-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.71
Rot. Bonds7

About 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide

2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide (PubChem CID 104664877) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
PubChem CID104664877
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(Cl)cc(CNC(C)C)c1OCC(N)=O
InChIInChI=1S/C13H19ClN2O3/c1-8(2)16-6-9-4-10(14)5-11(18-3)13(9)19-7-12(15)17/h4-5,8,16H,6-7H2,1-3H3,(H2,15,17)
InChIKeyUZLMDWOMJRDFBH-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 104664908
2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide
CID 104664912
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17156731
2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 19615588
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471775
2-[2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]ethoxy]ethanol
CID 104664875
N-[[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 104664891
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide
CID 104666110
N-[(5-chloro-3-methoxy-2-pent-4-enoxyphenyl)methyl]propan-2-amine
CID 104664905
5-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentanenitrile
CID 104664930
3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 104665105
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide (CID 104664877) is 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide is COc1cc(Cl)cc(CNC(C)C)c1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The InChIKey is UZLMDWOMJRDFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-8(2)16-6-9-4-10(14)5-11(18-3)13(9)19-7-12(15)17/h4-5,8,16H,6-7H2,1-3H3,(H2,15,17).
What are the key properties of 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide?
2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide has a molecular weight of 286.76 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 104664877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).