2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide

C24H30N4O2 — CID 46431840

IUPAC2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
SMILESCc1cccc(N2CCN(CCCNC(=O)C(C)Oc3ccccc3C#N)CC2)c1
InChIInChI=1S/C24H30N4O2/c1-19-7-5-9-22(17-19)28-15-13-27(14-16-28)12-6-11-26-24(29)20(2)30-23-10-4-3-8-21(23)18-25/h3-5,7-10,17,20H,6,11-16H2,1-2H3,(H,26,29)
InChIKeyUYKGJLKWTAVHCP-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.96
Rot. Bonds8

About 2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide

2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide (PubChem CID 46431840) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
PubChem CID46431840
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
SMILESCc1cccc(N2CCN(CCCNC(=O)C(C)Oc3ccccc3C#N)CC2)c1
InChIInChI=1S/C24H30N4O2/c1-19-7-5-9-22(17-19)28-15-13-27(14-16-28)12-6-11-26-24(29)20(2)30-23-10-4-3-8-21(23)18-25/h3-5,7-10,17,20H,6,11-16H2,1-2H3,(H,26,29)
InChIKeyUYKGJLKWTAVHCP-UHFFFAOYSA-N
XLogP2.96
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide
CID 46462316
2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 46431848
2-(2-cyanophenoxy)-3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 55941076
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide
CID 55624203
(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972762
2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide
CID 55652300
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide
CID 42959856
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-chloro-N-[3-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxobutan-2-yl]benzamide
CID 46402931
(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95706385

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide (CID 46431840) is 2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide is Cc1cccc(N2CCN(CCCNC(=O)C(C)Oc3ccccc3C#N)CC2)c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide?
The InChIKey is UYKGJLKWTAVHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-19-7-5-9-22(17-19)28-15-13-27(14-16-28)12-6-11-26-24(29)20(2)30-23-10-4-3-8-21(23)18-25/h3-5,7-10,17,20H,6,11-16H2,1-2H3,(H,26,29).
What are the key properties of 2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide?
2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide has a molecular weight of 406.53 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide is sourced from PubChem (CID 46431840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).