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

C30H31N3O2 — CID 46882084

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide
SMILESO=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C30H31N3O2/c34-29(27-7-4-19-31-21-27)22-32-20-18-25-12-16-28(17-13-25)33-30(35)26-14-10-24(11-15-26)9-8-23-5-2-1-3-6-23/h1-7,10-17,19,21,29,32,34H,8-9,18,20,22H2,(H,33,35)/t29-/m0/s1
InChIKeyAKRPUMDJXZZYRZ-LJAQVGFWSA-N
MW465.60 g/mol
LogP4.98
Rot. Bonds11

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

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide (PubChem CID 46882084) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide
PubChem CID46882084
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide
SMILESO=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C30H31N3O2/c34-29(27-7-4-19-31-21-27)22-32-20-18-25-12-16-28(17-13-25)33-30(35)26-14-10-24(11-15-26)9-8-23-5-2-1-3-6-23/h1-7,10-17,19,21,29,32,34H,8-9,18,20,22H2,(H,33,35)/t29-/m0/s1
InChIKeyAKRPUMDJXZZYRZ-LJAQVGFWSA-N
XLogP4.98
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.98
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]-4-(2-phenylethyl)benzamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide (CID 46882084) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide is O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide?
The InChIKey is AKRPUMDJXZZYRZ-LJAQVGFWSA-N. The full InChI is InChI=1S/C30H31N3O2/c34-29(27-7-4-19-31-21-27)22-32-20-18-25-12-16-28(17-13-25)33-30(35)26-14-10-24(11-15-26)9-8-23-5-2-1-3-6-23/h1-7,10-17,19,21,29,32,34H,8-9,18,20,22H2,(H,33,35)/t29-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide has a molecular weight of 465.60 g/mol, XLogP of 4.98, 11 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]-4-(2-phenylethyl)benzamide is sourced from PubChem (CID 46882084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).