2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide

C15H24N2O4 — CID 10424650

IUPAC2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
SMILESCC(C)(C)NCC(O)COc1ccccc1OCC(N)=O
InChIInChI=1S/C15H24N2O4/c1-15(2,3)17-8-11(18)9-20-12-6-4-5-7-13(12)21-10-14(16)19/h4-7,11,17-18H,8-10H2,1-3H3,(H2,16,19)
InChIKeyLOQRHBNWTKCEET-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.68
Rot. Bonds8

About 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide

2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide (PubChem CID 10424650) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
PubChem CID10424650
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
SMILESCC(C)(C)NCC(O)COc1ccccc1OCC(N)=O
InChIInChI=1S/C15H24N2O4/c1-15(2,3)17-8-11(18)9-20-12-6-4-5-7-13(12)21-10-14(16)19/h4-7,11,17-18H,8-10H2,1-3H3,(H2,16,19)
InChIKeyLOQRHBNWTKCEET-UHFFFAOYSA-N
XLogP0.68
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 13040879
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]ethyl nitrate
CID 13376596
ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride
CID 15566893
1-(tert-butylamino)-3-(2-nitrophenoxy)propan-2-ol
CID 14689265
1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471032
1-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]anthracene-9,10-dione
CID 97356918
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one
CID 21246134
1-[2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 1353740
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]butan-1-one;oxalic acid
CID 117068857

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide?
The IUPAC name of 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide (CID 10424650) is 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide is CC(C)(C)NCC(O)COc1ccccc1OCC(N)=O.
What is the InChIKey of 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide?
The InChIKey is LOQRHBNWTKCEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)17-8-11(18)9-20-12-6-4-5-7-13(12)21-10-14(16)19/h4-7,11,17-18H,8-10H2,1-3H3,(H2,16,19).
What are the key properties of 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide?
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide has a molecular weight of 296.37 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide is sourced from PubChem (CID 10424650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).