N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride

C18H23ClN2O2 — CID 118753371

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-14(21)20-17-9-7-15(8-10-17)11-12-19-13-18(22)16-5-3-2-4-6-16;/h2-10,18-19,22H,11-13H2,1H3,(H,20,21);1H/t18-;/m0./s1
InChIKeyYVLIZWOHLWBCJE-FERBBOLQSA-N
MW334.85 g/mol
LogP2.93
Rot. Bonds7

About N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride

N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride (PubChem CID 118753371) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride
PubChem CID118753371
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-14(21)20-17-9-7-15(8-10-17)11-12-19-13-18(22)16-5-3-2-4-6-16;/h2-10,18-19,22H,11-13H2,1H3,(H,20,21);1H/t18-;/m0./s1
InChIKeyYVLIZWOHLWBCJE-FERBBOLQSA-N
XLogP2.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride (CID 118753371) is N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1.Cl.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride?
The InChIKey is YVLIZWOHLWBCJE-FERBBOLQSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-14(21)20-17-9-7-15(8-10-17)11-12-19-13-18(22)16-5-3-2-4-6-16;/h2-10,18-19,22H,11-13H2,1H3,(H,20,21);1H/t18-;/m0./s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride?
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 118753371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).