2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide

C15H24N2O3 — CID 63000645

IUPAC2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CNC(C)(C)C)cc1OC
InChIInChI=1S/C15H24N2O3/c1-15(2,3)17-9-11-6-7-12(13(8-11)19-5)20-10-14(18)16-4/h6-8,17H,9-10H2,1-5H3,(H,16,18)
InChIKeyYZILDAUIKSBPOG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds6

About 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide

2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide (PubChem CID 63000645) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
PubChem CID63000645
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CNC(C)(C)C)cc1OC
InChIInChI=1S/C15H24N2O3/c1-15(2,3)17-9-11-6-7-12(13(8-11)19-5)20-10-14(18)16-4/h6-8,17H,9-10H2,1-5H3,(H,16,18)
InChIKeyYZILDAUIKSBPOG-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094
2-[2-bromo-4-[(tert-butylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 63056313
methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate
CID 63950315
N-tert-butyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 17155997
N-tert-butyl-2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525569
N-tert-butyl-2-[2-methoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4721018
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492602
3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-4-methoxybenzoic acid
CID 17058704
1-(tert-butylamino)-3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol;oxalic acid
CID 24905848
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide (CID 63000645) is 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide is CNC(=O)COc1ccc(CNC(C)(C)C)cc1OC.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide?
The InChIKey is YZILDAUIKSBPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)17-9-11-6-7-12(13(8-11)19-5)20-10-14(18)16-4/h6-8,17H,9-10H2,1-5H3,(H,16,18).
What are the key properties of 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide?
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide is sourced from PubChem (CID 63000645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).