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

C18H22N2O2 — CID 90376256

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/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)/t18-/m0/s1
InChIKeyYEOINTNYDAYENZ-SFHVURJKSA-N
MW298.39 g/mol
LogP2.51
Rot. Bonds7

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

N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide (PubChem CID 90376256) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
PubChem CID90376256
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/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)/t18-/m0/s1
InChIKeyYEOINTNYDAYENZ-SFHVURJKSA-N
XLogP2.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.51
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?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide (CID 90376256) is N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide?
The InChIKey is YEOINTNYDAYENZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O2/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)/t18-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide?
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.51, 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 is sourced from PubChem (CID 90376256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).