2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide

C23H24N4O2 — CID 87040479

IUPAC2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide
SMILESCC(C)C(Oc1ccccc1C#N)C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24N4O2/c1-17(2)22(29-21-7-4-3-6-19(21)16-24)23(28)25-14-12-18-8-10-20(11-9-18)27-15-5-13-26-27/h3-11,13,15,17,22H,12,14H2,1-2H3,(H,25,28)
InChIKeyVSOVKCIFDKPHQX-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.51
Rot. Bonds8

About 2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide

2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide (PubChem CID 87040479) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide
PubChem CID87040479
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide
SMILESCC(C)C(Oc1ccccc1C#N)C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24N4O2/c1-17(2)22(29-21-7-4-3-6-19(21)16-24)23(28)25-14-12-18-8-10-20(11-9-18)27-15-5-13-26-27/h3-11,13,15,17,22H,12,14H2,1-2H3,(H,25,28)
InChIKeyVSOVKCIFDKPHQX-UHFFFAOYSA-N
XLogP3.51
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide 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

2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55928847
2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31002817
2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide
CID 55930035
4-chloro-N-[2-[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]ethyl]benzamide
CID 55940470
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 43052084
2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 102556013
2-(2-cyanophenoxy)-3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 55941076
cyclohexyl 3-[[(2R)-2-(2-cyanophenoxy)-3-methylbutanoyl]amino]propanoate
CID 100746043
(2S)-2-(2-cyanophenoxy)-3-methyl-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]butanamide
CID 100627691
2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115649625
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)-3-methylbutanamide
CID 55940464

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The IUPAC name of 2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide (CID 87040479) is 2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide is CC(C)C(Oc1ccccc1C#N)C(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The InChIKey is VSOVKCIFDKPHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17(2)22(29-21-7-4-3-6-19(21)16-24)23(28)25-14-12-18-8-10-20(11-9-18)27-15-5-13-26-27/h3-11,13,15,17,22H,12,14H2,1-2H3,(H,25,28).
What are the key properties of 2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide has a molecular weight of 388.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 87040479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).