N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide

C20H22N2O3 — CID 110898643

IUPACN-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
SMILESC#Cc1cccc(NC(=O)CN(C)CC(O)COc2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-3-16-8-7-9-17(12-16)21-20(24)14-22(2)13-18(23)15-25-19-10-5-4-6-11-19/h1,4-12,18,23H,13-15H2,2H3,(H,21,24)
InChIKeyDUSOABFXJQKGLT-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.98
Rot. Bonds8

About N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide

N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide (PubChem CID 110898643) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
PubChem CID110898643
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
SMILESC#Cc1cccc(NC(=O)CN(C)CC(O)COc2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-3-16-8-7-9-17(12-16)21-20(24)14-22(2)13-18(23)15-25-19-10-5-4-6-11-19/h1,4-12,18,23H,13-15H2,2H3,(H,21,24)
InChIKeyDUSOABFXJQKGLT-UHFFFAOYSA-N
XLogP1.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
CID 110888449
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444
N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 110898649
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide
CID 112820790
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
N-(3-ethynylphenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 110898647
N-(3-ethynylphenyl)-2-[methyl(1,2,4-thiadiazol-5-yl)amino]acetamide
CID 91651089
4-butoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835518
2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 78902898
N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide
CID 46561692
2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32531014
2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 55471279

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide?
The IUPAC name of N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide (CID 110898643) is N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide is C#Cc1cccc(NC(=O)CN(C)CC(O)COc2ccccc2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide?
The InChIKey is DUSOABFXJQKGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-16-8-7-9-17(12-16)21-20(24)14-22(2)13-18(23)15-25-19-10-5-4-6-11-19/h1,4-12,18,23H,13-15H2,2H3,(H,21,24).
What are the key properties of N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide?
N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide is sourced from PubChem (CID 110898643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).