2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide

C15H24N2O3 — CID 60909915

IUPAC2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNCC(O)COc1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O3/c1-4-17-15(19)9-16-8-13(18)10-20-14-6-11(2)5-12(3)7-14/h5-7,13,16,18H,4,8-10H2,1-3H3,(H,17,19)
InChIKeyXZHRDBWDRCCWHC-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.77
Rot. Bonds8

About 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide

2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide (PubChem CID 60909915) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
PubChem CID60909915
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNCC(O)COc1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O3/c1-4-17-15(19)9-16-8-13(18)10-20-14-6-11(2)5-12(3)7-14/h5-7,13,16,18H,4,8-10H2,1-3H3,(H,17,19)
InChIKeyXZHRDBWDRCCWHC-UHFFFAOYSA-N
XLogP0.77
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate
CID 60904477
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60908695
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909211
2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909766
1-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylbutan-2-ol
CID 65106826
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
1-(3,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633357
1-(3,5-dimethylphenoxy)-3-(3-fluoropropylamino)propan-2-ol
CID 114266956
1-(3,5-dimethylphenoxy)-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760352
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
(2S)-1-(tert-butylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 780164
1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol
CID 60632289

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide (CID 60909915) is 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide is CCNC(=O)CNCC(O)COc1cc(C)cc(C)c1.
What is the InChIKey of 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
The InChIKey is XZHRDBWDRCCWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-17-15(19)9-16-8-13(18)10-20-14-6-11(2)5-12(3)7-14/h5-7,13,16,18H,4,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide?
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide has a molecular weight of 280.37 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide is sourced from PubChem (CID 60909915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).