4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide

C22H24N2O3 — CID 124726803

IUPAC4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide
SMILESC#C[C@@H](NCc1cccc(NC(=O)c2ccc(OC)cc2)c1)[C@H]1CCCO1
InChIInChI=1S/C22H24N2O3/c1-3-20(21-8-5-13-27-21)23-15-16-6-4-7-18(14-16)24-22(25)17-9-11-19(26-2)12-10-17/h1,4,6-7,9-12,14,20-21,23H,5,8,13,15H2,2H3,(H,24,25)/t20-,21-/m1/s1
InChIKeyCJVBMIPENOLHNQ-NHCUHLMSSA-N
MW364.45 g/mol
LogP3.22
Rot. Bonds7

About 4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide

4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide (PubChem CID 124726803) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide
PubChem CID124726803
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide
SMILESC#C[C@@H](NCc1cccc(NC(=O)c2ccc(OC)cc2)c1)[C@H]1CCCO1
InChIInChI=1S/C22H24N2O3/c1-3-20(21-8-5-13-27-21)23-15-16-6-4-7-18(14-16)24-22(25)17-9-11-19(26-2)12-10-17/h1,4,6-7,9-12,14,20-21,23H,5,8,13,15H2,2H3,(H,24,25)/t20-,21-/m1/s1
InChIKeyCJVBMIPENOLHNQ-NHCUHLMSSA-N
XLogP3.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide 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 4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide (CID 124726803) is 4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide is C#C[C@@H](NCc1cccc(NC(=O)c2ccc(OC)cc2)c1)[C@H]1CCCO1.
What is the InChIKey of 4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide?
The InChIKey is CJVBMIPENOLHNQ-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-20(21-8-5-13-27-21)23-15-16-6-4-7-18(14-16)24-22(25)17-9-11-19(26-2)12-10-17/h1,4,6-7,9-12,14,20-21,23H,5,8,13,15H2,2H3,(H,24,25)/t20-,21-/m1/s1.
What are the key properties of 4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide?
4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 124726803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).