2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide

C25H30N4O3 — CID 34430651

IUPAC2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1ccnn1Cc1ccc(CC)cc1
InChIInChI=1S/C25H30N4O3/c1-3-19-11-13-20(14-12-19)18-29-23(15-17-27-29)28-24(30)10-7-16-26-25(31)21-8-5-6-9-22(21)32-4-2/h5-6,8-9,11-15,17H,3-4,7,10,16,18H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyJTGGZJDOMOZVHL-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.04
Rot. Bonds11

About 2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide

2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide (PubChem CID 34430651) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide
PubChem CID34430651
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1ccnn1Cc1ccc(CC)cc1
InChIInChI=1S/C25H30N4O3/c1-3-19-11-13-20(14-12-19)18-29-23(15-17-27-29)28-24(30)10-7-16-26-25(31)21-8-5-6-9-22(21)32-4-2/h5-6,8-9,11-15,17H,3-4,7,10,16,18H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyJTGGZJDOMOZVHL-UHFFFAOYSA-N
XLogP4.04
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-ethoxybenzamide
CID 26725871
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 26586169
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide
CID 51233551
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 9078863
N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 51237492

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide (CID 34430651) is 2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccnn1Cc1ccc(CC)cc1.
What is the InChIKey of 2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide?
The InChIKey is JTGGZJDOMOZVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-3-19-11-13-20(14-12-19)18-29-23(15-17-27-29)28-24(30)10-7-16-26-25(31)21-8-5-6-9-22(21)32-4-2/h5-6,8-9,11-15,17H,3-4,7,10,16,18H2,1-2H3,(H,26,31)(H,28,30).
What are the key properties of 2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide?
2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 34430651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).