1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea

C22H28N4O5 — CID 46643345

IUPAC1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
SMILESCCOc1ccc(C(=O)NNC(=O)C(NC(=O)Nc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C22H28N4O5/c1-5-31-17-12-11-15(13-18(17)30-4)20(27)25-26-21(28)19(14(2)3)24-22(29)23-16-9-7-6-8-10-16/h6-14,19H,5H2,1-4H3,(H,25,27)(H,26,28)(H2,23,24,29)
InChIKeyBBXPXFDWPZZNOG-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.70
Rot. Bonds8

About 1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea

1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea (PubChem CID 46643345) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
PubChem CID46643345
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Name1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
SMILESCCOc1ccc(C(=O)NNC(=O)C(NC(=O)Nc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C22H28N4O5/c1-5-31-17-12-11-15(13-18(17)30-4)20(27)25-26-21(28)19(14(2)3)24-22(29)23-16-9-7-6-8-10-16/h6-14,19H,5H2,1-4H3,(H,25,27)(H,26,28)(H2,23,24,29)
InChIKeyBBXPXFDWPZZNOG-UHFFFAOYSA-N
XLogP2.70
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea 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

[(2S)-1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9151364
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 42910219
4-bromo-N-[(2R)-1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 32810239
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55347458
4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide
CID 78585454
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
N-(4,5-dimethoxy-2-methylphenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17443206
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 17130050
1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292224
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
N-[(2S)-1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 35933812

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea?
The IUPAC name of 1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea (CID 46643345) is 1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea?
The canonical SMILES for 1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea is CCOc1ccc(C(=O)NNC(=O)C(NC(=O)Nc2ccccc2)C(C)C)cc1OC.
What is the InChIKey of 1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea?
The InChIKey is BBXPXFDWPZZNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-5-31-17-12-11-15(13-18(17)30-4)20(27)25-26-21(28)19(14(2)3)24-22(29)23-16-9-7-6-8-10-16/h6-14,19H,5H2,1-4H3,(H,25,27)(H,26,28)(H2,23,24,29).
What are the key properties of 1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea?
1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea has a molecular weight of 428.49 g/mol, XLogP of 2.70, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea is sourced from PubChem (CID 46643345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).