Anipamil

C34H52N2O2 — CID 54966

IUPAC2-(3-methoxyphenyl)-2-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]tetradecanenitrile
SMILESCCCCCCCCCCCCC(CCCN(C)CCC1=CC(=CC=C1)OC)(C#N)C2=CC(=CC=C2)OC
InChIInChI=1S/C34H52N2O2/c1-5-6-7-8-9-10-11-12-13-14-23-34(29-35,31-19-16-21-33(28-31)38-4)24-17-25-36(2)26-22-30-18-15-20-32(27-30)37-3/h15-16,18-21,27-28H,5-14,17,22-26H2,1-4H3
InChIKeyPHFDAOXXIZOUIX-UHFFFAOYSA-N
MW520.80 g/mol
LogP10.40
Rot. Bonds21

About Anipamil

Anipamil (PubChem CID 54966) has the molecular formula C34H52N2O2 and a molecular weight of 520.80 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]tetradecanenitrile.

Molecular Properties

Compound NameAnipamil
PubChem CID54966
Molecular FormulaC34H52N2O2
Molecular Weight520.80 g/mol
Exact Mass520.40
IUPAC Name2-(3-methoxyphenyl)-2-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]tetradecanenitrile
SMILESCCCCCCCCCCCCC(CCCN(C)CCC1=CC(=CC=C1)OC)(C#N)C2=CC(=CC=C2)OC
InChIInChI=1S/C34H52N2O2/c1-5-6-7-8-9-10-11-12-13-14-23-34(29-35,31-19-16-21-33(28-31)38-4)24-17-25-36(2)26-22-30-18-15-20-32(27-30)37-3/h15-16,18-21,27-28H,5-14,17,22-26H2,1-4H3
InChIKeyPHFDAOXXIZOUIX-UHFFFAOYSA-N
XLogP10.40
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms38
Complexity631

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.80
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze Anipamil with MolForge

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

Launch Full Analysis

Related Compounds

Verapamil
CID 2520
Verapamil Hydrochloride
CID 62969
Gallopamil
CID 1234
Norverapamil
CID 104972
Dexverapamil
CID 65808
Gallopamil Hydrochloride
CID 119442
4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile
CID 79580
(R)-Norverapamil
CID 15593907
(S)-Verapamil
CID 92305
Norverapamil Hydrochloride
CID 155002
Devapamil
CID 65832
(S)-3-(3-Methoxy-phenyl)-1-propyl-piperidine
CID 12937927

Frequently Asked Questions

What is the IUPAC name of Anipamil?
The IUPAC name of Anipamil (CID 54966) is 2-(3-methoxyphenyl)-2-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]tetradecanenitrile.
What is the SMILES notation for Anipamil?
The canonical SMILES for Anipamil is CCCCCCCCCCCCC(CCCN(C)CCC1=CC(=CC=C1)OC)(C#N)C2=CC(=CC=C2)OC.
What is the InChIKey of Anipamil?
The InChIKey is PHFDAOXXIZOUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52N2O2/c1-5-6-7-8-9-10-11-12-13-14-23-34(29-35,31-19-16-21-33(28-31)38-4)24-17-25-36(2)26-22-30-18-15-20-32(27-30)37-3/h15-16,18-21,27-28H,5-14,17,22-26H2,1-4H3.
What are the key properties of Anipamil?
Anipamil has a molecular weight of 520.80 g/mol, XLogP of 10.40, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Anipamil is sourced from PubChem (CID 54966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).