N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide

C25H29N3O3 — CID 44574721

IUPACN-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1
InChIInChI=1S/C25H29N3O3/c1-19-6-5-14-27-24(19)16-25(30)28-21-11-9-20(10-12-21)13-15-26-17-22(29)18-31-23-7-3-2-4-8-23/h2-12,14,22,26,29H,13,15-18H2,1H3,(H,28,30)/t22-/m0/s1
InChIKeyVMMOGXPDAWGYDP-QFIPXVFZSA-N
MW419.53 g/mol
LogP3.14
Rot. Bonds11

About N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide

N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide (PubChem CID 44574721) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide
PubChem CID44574721
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1
InChIInChI=1S/C25H29N3O3/c1-19-6-5-14-27-24(19)16-25(30)28-21-11-9-20(10-12-21)13-15-26-17-22(29)18-31-23-7-3-2-4-8-23/h2-12,14,22,26,29H,13,15-18H2,1H3,(H,28,30)/t22-/m0/s1
InChIKeyVMMOGXPDAWGYDP-QFIPXVFZSA-N
XLogP3.14
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide (CID 44574721) is N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is VMMOGXPDAWGYDP-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-19-6-5-14-27-24(19)16-25(30)28-21-11-9-20(10-12-21)13-15-26-17-22(29)18-31-23-7-3-2-4-8-23/h2-12,14,22,26,29H,13,15-18H2,1H3,(H,28,30)/t22-/m0/s1.
What are the key properties of N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide?
N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 3.14, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 44574721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).