2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide

C14H22N2O3 — CID 61267812

IUPAC2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(OC)ccc1CNC(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)16-8-11-5-6-12(18-4)7-13(11)19-9-14(17)15-3/h5-7,10,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyXXEFGVLFHSDELG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.32
Rot. Bonds7

About 2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide

2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide (PubChem CID 61267812) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
PubChem CID61267812
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(OC)ccc1CNC(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)16-8-11-5-6-12(18-4)7-13(11)19-9-14(17)15-3/h5-7,10,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyXXEFGVLFHSDELG-UHFFFAOYSA-N
XLogP1.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 61268180
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
N-ethyl-2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267271
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43276291
3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849319
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide
CID 61268733
2-(2,4-dimethoxyphenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide
CID 110495730
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
CID 82000648
N-(2-methoxyethyl)-2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 61487286
methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63058852
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83037173

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide (CID 61267812) is 2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide is CNC(=O)COc1cc(OC)ccc1CNC(C)C.
What is the InChIKey of 2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide?
The InChIKey is XXEFGVLFHSDELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16-8-11-5-6-12(18-4)7-13(11)19-9-14(17)15-3/h5-7,10,16H,8-9H2,1-4H3,(H,15,17).
What are the key properties of 2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide?
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 61267812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).