4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide

C25H28N4O3 — CID 59697131

IUPAC4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide
SMILESCCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)NCCc3ccccn3)cc2)cc1
InChIInChI=1S/C25H28N4O3/c1-2-19-6-8-20(9-7-19)21-10-12-22(13-11-21)24(30)27-17-18-29(32)25(31)28-16-14-23-5-3-4-15-26-23/h3-13,15,32H,2,14,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyNCFUGPPQAQOKTN-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.68
Rot. Bonds9

About 4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide

4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide (PubChem CID 59697131) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide
PubChem CID59697131
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide
SMILESCCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)NCCc3ccccn3)cc2)cc1
InChIInChI=1S/C25H28N4O3/c1-2-19-6-8-20(9-7-19)21-10-12-22(13-11-21)24(30)27-17-18-29(32)25(31)28-16-14-23-5-3-4-15-26-23/h3-13,15,32H,2,14,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyNCFUGPPQAQOKTN-UHFFFAOYSA-N
XLogP3.68
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate
CID 86812578
N-butyl-4-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide
CID 111193878
4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide
CID 59697900
N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide
CID 58343315
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111191579
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide
CID 71707786
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 51164053
N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 1057393
4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-[2-[hydroxy(2-methoxyethylcarbamoyl)amino]ethylamino]-1-oxobutan-2-yl]benzamide
CID 59697916

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide (CID 59697131) is 4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide is CCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)NCCc3ccccn3)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide?
The InChIKey is NCFUGPPQAQOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-2-19-6-8-20(9-7-19)21-10-12-22(13-11-21)24(30)27-17-18-29(32)25(31)28-16-14-23-5-3-4-15-26-23/h3-13,15,32H,2,14,16-18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide?
4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide is sourced from PubChem (CID 59697131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).