N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide

C14H22N2O2 — CID 43693352

IUPACN-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
SMILESCCC(C)CNc1cccc(OCC(=O)NC)c1
InChIInChI=1S/C14H22N2O2/c1-4-11(2)9-16-12-6-5-7-13(8-12)18-10-14(17)15-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyJPTCENXTVRMUHI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.27
Rot. Bonds7

About N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide

N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide (PubChem CID 43693352) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
PubChem CID43693352
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
SMILESCCC(C)CNc1cccc(OCC(=O)NC)c1
InChIInChI=1S/C14H22N2O2/c1-4-11(2)9-16-12-6-5-7-13(8-12)18-10-14(17)15-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyJPTCENXTVRMUHI-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[3-(2-methylpentylamino)phenoxy]acetamide
CID 43693343
N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide
CID 138724732
N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide
CID 43693342
2-(butan-2-ylamino)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 60852115
2-bromo-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]butanamide
CID 62855576
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
2-[3-[(5-ethylfuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62346867
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
CID 43693359
2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62345183
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide?
The IUPAC name of N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide (CID 43693352) is N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide is CCC(C)CNc1cccc(OCC(=O)NC)c1.
What is the InChIKey of N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide?
The InChIKey is JPTCENXTVRMUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(2)9-16-12-6-5-7-13(8-12)18-10-14(17)15-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17).
What are the key properties of N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide?
N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide is sourced from PubChem (CID 43693352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).