(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile

C25H32N2O2 — CID 69461994

IUPAC(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile
SMILESCCOC(OCC)C1([C@H](C#N)N[C@@H](Cc2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c1-4-28-24(29-5-2)25(15-16-25)23(18-26)27-22(21-9-7-6-8-10-21)17-20-13-11-19(3)12-14-20/h6-14,22-24,27H,4-5,15-17H2,1-3H3/t22-,23-/m0/s1
InChIKeyHGLBGODIZOWAHL-GOTSBHOMSA-N
MW392.54 g/mol
LogP4.94
Rot. Bonds11

About (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile

(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile (PubChem CID 69461994) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile.

Molecular Properties

Compound Name(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile
PubChem CID69461994
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile
SMILESCCOC(OCC)C1([C@H](C#N)N[C@@H](Cc2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c1-4-28-24(29-5-2)25(15-16-25)23(18-26)27-22(21-9-7-6-8-10-21)17-20-13-11-19(3)12-14-20/h6-14,22-24,27H,4-5,15-17H2,1-3H3/t22-,23-/m0/s1
InChIKeyHGLBGODIZOWAHL-GOTSBHOMSA-N
XLogP4.94
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile 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 (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile?
The IUPAC name of (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile (CID 69461994) is (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile.
What is the SMILES notation for (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile?
The canonical SMILES for (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile is CCOC(OCC)C1([C@H](C#N)N[C@@H](Cc2ccc(C)cc2)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile?
The InChIKey is HGLBGODIZOWAHL-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-4-28-24(29-5-2)25(15-16-25)23(18-26)27-22(21-9-7-6-8-10-21)17-20-13-11-19(3)12-14-20/h6-14,22-24,27H,4-5,15-17H2,1-3H3/t22-,23-/m0/s1.
What are the key properties of (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile?
(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile has a molecular weight of 392.54 g/mol, XLogP of 4.94, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-2-(4-methylphenyl)-1-phenylethyl]amino]acetonitrile is sourced from PubChem (CID 69461994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).