2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide

C16H26N2O3 — CID 43693342

IUPAC2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NC(C)CC(C)(C)OC)c1
InChIInChI=1S/C16H26N2O3/c1-12(10-16(2,3)20-5)18-13-7-6-8-14(9-13)21-11-15(19)17-4/h6-9,12,18H,10-11H2,1-5H3,(H,17,19)
InChIKeyZRJVKJWKUZKEHQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.43
Rot. Bonds8

About 2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide

2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide (PubChem CID 43693342) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide
PubChem CID43693342
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NC(C)CC(C)(C)OC)c1
InChIInChI=1S/C16H26N2O3/c1-12(10-16(2,3)20-5)18-13-7-6-8-14(9-13)21-11-15(19)17-4/h6-9,12,18H,10-11H2,1-5H3,(H,17,19)
InChIKeyZRJVKJWKUZKEHQ-UHFFFAOYSA-N
XLogP2.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 60935267
2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide
CID 115918854
N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
CID 43693352
N-methyl-2-[3-(1-pyridin-4-ylethylamino)phenoxy]acetamide
CID 43693413
N-methyl-2-[3-(2-methylpentylamino)phenoxy]acetamide
CID 43693343
2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide
CID 60999483
2-(butan-2-ylamino)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 60852115
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
CID 103732751
N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide
CID 43147236
N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
CID 43693359

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide (CID 43693342) is 2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide is CNC(=O)COc1cccc(NC(C)CC(C)(C)OC)c1.
What is the InChIKey of 2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide?
The InChIKey is ZRJVKJWKUZKEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(10-16(2,3)20-5)18-13-7-6-8-14(9-13)21-11-15(19)17-4/h6-9,12,18H,10-11H2,1-5H3,(H,17,19).
What are the key properties of 2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide?
2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide has a molecular weight of 294.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide is sourced from PubChem (CID 43693342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).