N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide

C19H24N2O3 — CID 5120328

IUPACN-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CNC(C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-14(16-6-4-3-5-7-16)20-12-18(23)13-24-19-10-8-17(9-11-19)21-15(2)22/h3-11,14,18,20,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyOXWXXMDTFPNWGG-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.74
Rot. Bonds8

About N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide

N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide (PubChem CID 5120328) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide
PubChem CID5120328
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CNC(C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-14(16-6-4-3-5-7-16)20-12-18(23)13-24-19-10-8-17(9-11-19)21-15(2)22/h3-11,14,18,20,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyOXWXXMDTFPNWGG-UHFFFAOYSA-N
XLogP2.74
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide (CID 5120328) is N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CNC(C)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide?
The InChIKey is OXWXXMDTFPNWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(16-6-4-3-5-7-16)20-12-18(23)13-24-19-10-8-17(9-11-19)21-15(2)22/h3-11,14,18,20,23H,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide?
N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(1-phenylethylamino)propoxy]phenyl]acetamide is sourced from PubChem (CID 5120328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).