2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide

C15H24N2O2 — CID 63057746

IUPAC2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-5-16-14(18)11-19-13-8-6-7-12(9-13)10-17-15(2,3)4/h6-9,17H,5,10-11H2,1-4H3,(H,16,18)
InChIKeySXASKTLYUYGNCL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds6

About 2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide

2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide (PubChem CID 63057746) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
PubChem CID63057746
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-5-16-14(18)11-19-13-8-6-7-12(9-13)10-17-15(2,3)4/h6-9,17H,5,10-11H2,1-4H3,(H,16,18)
InChIKeySXASKTLYUYGNCL-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(tert-butylamino)methyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 63055877
2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119740409
1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187254
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-ethylacetamide
CID 63056680
(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide
CID 119740412
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
N-ethyl-2-(3-iodophenoxy)acetamide
CID 35964603
3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 60872199
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide (CID 63057746) is 2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide is CCNC(=O)COc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of 2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide?
The InChIKey is SXASKTLYUYGNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-16-14(18)11-19-13-8-6-7-12(9-13)10-17-15(2,3)4/h6-9,17H,5,10-11H2,1-4H3,(H,16,18).
What are the key properties of 2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide?
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide has a molecular weight of 264.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 63057746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).