N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide

C23H30N2O4 — CID 78831938

IUPACN-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide
SMILESCCC(=O)c1ccc(OCC(O)CN(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H30N2O4/c1-5-21(27)18-9-11-20(12-10-18)29-15-19(26)13-25(4)14-22(28)24-23-16(2)7-6-8-17(23)3/h6-12,19,26H,5,13-15H2,1-4H3,(H,24,28)
InChIKeyHOZAGOXVNYKLAJ-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.21
Rot. Bonds10

About N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide (PubChem CID 78831938) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide
PubChem CID78831938
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide
SMILESCCC(=O)c1ccc(OCC(O)CN(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H30N2O4/c1-5-21(27)18-9-11-20(12-10-18)29-15-19(26)13-25(4)14-22(28)24-23-16(2)7-6-8-17(23)3/h6-12,19,26H,5,13-15H2,1-4H3,(H,24,28)
InChIKeyHOZAGOXVNYKLAJ-UHFFFAOYSA-N
XLogP3.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 78831974
N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 110882536
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444
2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32530996
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
CID 110888449
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855178
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 111462499
1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
CID 1265839
N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
CID 110898643
N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 110882203
2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32531014

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide (CID 78831938) is N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide is CCC(=O)c1ccc(OCC(O)CN(C)CC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide?
The InChIKey is HOZAGOXVNYKLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-21(27)18-9-11-20(12-10-18)29-15-19(26)13-25(4)14-22(28)24-23-16(2)7-6-8-17(23)3/h6-12,19,26H,5,13-15H2,1-4H3,(H,24,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide has a molecular weight of 398.50 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide is sourced from PubChem (CID 78831938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).