N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide

C15H24N2O3 — CID 60908695

IUPACN-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
SMILESCCNC(=O)CNCC(O)COc1ccc(CC)cc1
InChIInChI=1S/C15H24N2O3/c1-3-12-5-7-14(8-6-12)20-11-13(18)9-16-10-15(19)17-4-2/h5-8,13,16,18H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyUFDBNCXDUJDFHR-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.71
Rot. Bonds9

About N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide

N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide (PubChem CID 60908695) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
PubChem CID60908695
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
SMILESCCNC(=O)CNCC(O)COc1ccc(CC)cc1
InChIInChI=1S/C15H24N2O3/c1-3-12-5-7-14(8-6-12)20-11-13(18)9-16-10-15(19)17-4-2/h5-8,13,16,18H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyUFDBNCXDUJDFHR-UHFFFAOYSA-N
XLogP0.71
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60909778
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909915
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide
CID 61477112
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
1-(3,3-dimethylbutylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 115581071
1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol
CID 62548727
2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909766
5-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131486
1-(4-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745292

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide (CID 60908695) is N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide is CCNC(=O)CNCC(O)COc1ccc(CC)cc1.
What is the InChIKey of N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide?
The InChIKey is UFDBNCXDUJDFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-12-5-7-14(8-6-12)20-11-13(18)9-16-10-15(19)17-4-2/h5-8,13,16,18H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide?
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide is sourced from PubChem (CID 60908695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).