2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide

C16H24N2O2 — CID 115918854

IUPAC2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NC(C)CC2CCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12(9-13-5-3-6-13)18-14-7-4-8-15(10-14)20-11-16(19)17-2/h4,7-8,10,12-13,18H,3,5-6,9,11H2,1-2H3,(H,17,19)
InChIKeyFGASTQXOINOXSS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.80
Rot. Bonds7

About 2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide

2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide (PubChem CID 115918854) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide
PubChem CID115918854
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NC(C)CC2CCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12(9-13-5-3-6-13)18-14-7-4-8-15(10-14)20-11-16(19)17-2/h4,7-8,10,12-13,18H,3,5-6,9,11H2,1-2H3,(H,17,19)
InChIKeyFGASTQXOINOXSS-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide
CID 43693342
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 113353838
N-methyl-2-[3-(1-pyridin-4-ylethylamino)phenoxy]acetamide
CID 43693413
2-[3-(1-cyclopentylethylamino)phenoxy]acetamide
CID 62632459
2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide
CID 60999483
N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
CID 43693352
N-[3-(1-cyclopropylpropan-2-ylamino)phenyl]acetamide
CID 115916889
2-(butan-2-ylamino)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 60852115
2-[3-[(1,1-dioxothian-3-yl)amino]phenoxy]-N-methylacetamide
CID 63911838
N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide
CID 65070020
N-methyl-2-[3-[(2-methyloxolan-3-yl)amino]phenoxy]acetamide
CID 82727757
(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
CID 103809015

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide (CID 115918854) is 2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide is CNC(=O)COc1cccc(NC(C)CC2CCC2)c1.
What is the InChIKey of 2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide?
The InChIKey is FGASTQXOINOXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(9-13-5-3-6-13)18-14-7-4-8-15(10-14)20-11-16(19)17-2/h4,7-8,10,12-13,18H,3,5-6,9,11H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide?
2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide is sourced from PubChem (CID 115918854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).