N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide

C23H25N3O2 — CID 46881529

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C23H25N3O2/c27-22(20-7-4-13-24-16-20)17-25-14-12-18-8-10-21(11-9-18)26-23(28)15-19-5-2-1-3-6-19/h1-11,13,16,22,25,27H,12,14-15,17H2,(H,26,28)/t22-/m0/s1
InChIKeyQGVWMOAEDUUCES-QFIPXVFZSA-N
MW375.47 g/mol
LogP3.13
Rot. Bonds9

About N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide (PubChem CID 46881529) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide
PubChem CID46881529
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C23H25N3O2/c27-22(20-7-4-13-24-16-20)17-25-14-12-18-8-10-21(11-9-18)26-23(28)15-19-5-2-1-3-6-19/h1-11,13,16,22,25,27H,12,14-15,17H2,(H,26,28)/t22-/m0/s1
InChIKeyQGVWMOAEDUUCES-QFIPXVFZSA-N
XLogP3.13
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide (CID 46881529) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide?
The InChIKey is QGVWMOAEDUUCES-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22(20-7-4-13-24-16-20)17-25-14-12-18-8-10-21(11-9-18)26-23(28)15-19-5-2-1-3-6-19/h1-11,13,16,22,25,27H,12,14-15,17H2,(H,26,28)/t22-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide has a molecular weight of 375.47 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 46881529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).