2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide

C19H24N2O3 — CID 110888449

IUPAC2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
SMILESCc1cccc(OCC(O)CN(C)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-15-7-6-10-18(11-15)24-14-17(22)12-21(2)13-19(23)20-16-8-4-3-5-9-16/h3-11,17,22H,12-14H2,1-2H3,(H,20,23)
InChIKeyCMFAVHYHQVDTIY-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.31
Rot. Bonds8

About 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide

2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide (PubChem CID 110888449) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
PubChem CID110888449
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
SMILESCc1cccc(OCC(O)CN(C)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-15-7-6-10-18(11-15)24-14-17(22)12-21(2)13-19(23)20-16-8-4-3-5-9-16/h3-11,17,22H,12-14H2,1-2H3,(H,20,23)
InChIKeyCMFAVHYHQVDTIY-UHFFFAOYSA-N
XLogP2.31
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32531014
N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide
CID 26005258
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444
N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
CID 110898643
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 78831974
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide
CID 112820790
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(3-methylphenyl)acetamide
CID 55242966

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide (CID 110888449) is 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide is Cc1cccc(OCC(O)CN(C)CC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide?
The InChIKey is CMFAVHYHQVDTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15-7-6-10-18(11-15)24-14-17(22)12-21(2)13-19(23)20-16-8-4-3-5-9-16/h3-11,17,22H,12-14H2,1-2H3,(H,20,23).
What are the key properties of 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide?
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide has a molecular weight of 328.41 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide is sourced from PubChem (CID 110888449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).