2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide

C15H23ClN2O2 — CID 63058398

IUPAC2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(Cl)cc1CNC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-5-17-14(19)10-20-13-7-6-12(16)8-11(13)9-18-15(2,3)4/h6-8,18H,5,9-10H2,1-4H3,(H,17,19)
InChIKeyFOAWICAOKXKDEZ-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.74
Rot. Bonds6

About 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide

2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide (PubChem CID 63058398) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
PubChem CID63058398
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(Cl)cc1CNC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-5-17-14(19)10-20-13-7-6-12(16)8-11(13)9-18-15(2,3)4/h6-8,18H,5,9-10H2,1-4H3,(H,17,19)
InChIKeyFOAWICAOKXKDEZ-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide
CID 63056538
propan-2-yl 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]acetate
CID 63057900
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-ethylacetamide
CID 63056680
2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide
CID 9292846
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
CID 63056878
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492473
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-cyanoethyl)acetamide
CID 60882577
2-[4-chloro-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]acetamide
CID 17053993
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanoic acid
CID 64668129
2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide
CID 55031256
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
CID 63056882
N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
CID 43277958

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide (CID 63058398) is 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(Cl)cc1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide?
The InChIKey is FOAWICAOKXKDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-5-17-14(19)10-20-13-7-6-12(16)8-11(13)9-18-15(2,3)4/h6-8,18H,5,9-10H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide?
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide has a molecular weight of 298.81 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide is sourced from PubChem (CID 63058398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).