1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride

C17H21ClN4O3 — CID 177253186

IUPAC1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride
SMILESCCNC(=O)Nc1ccc(C(=O)NN)cc1-c1ccc(OC)cc1.Cl
InChIInChI=1S/C17H20N4O3.ClH/c1-3-19-17(23)20-15-9-6-12(16(22)21-18)10-14(15)11-4-7-13(24-2)8-5-11;/h4-10H,3,18H2,1-2H3,(H,21,22)(H2,19,20,23);1H
InChIKeyZJKUUIMXTKVTEX-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.53
Rot. Bonds5

About 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride

1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride (PubChem CID 177253186) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride
PubChem CID177253186
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride
SMILESCCNC(=O)Nc1ccc(C(=O)NN)cc1-c1ccc(OC)cc1.Cl
InChIInChI=1S/C17H20N4O3.ClH/c1-3-19-17(23)20-15-9-6-12(16(22)21-18)10-14(15)11-4-7-13(24-2)8-5-11;/h4-10H,3,18H2,1-2H3,(H,21,22)(H2,19,20,23);1H
InChIKeyZJKUUIMXTKVTEX-UHFFFAOYSA-N
XLogP2.53
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea
CID 177253126
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
4-hydrazinyl-N-(4-methoxyphenyl)-3-methylbenzamide
CID 63211736
N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide
CID 102087418
4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide
CID 51118537
3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
CID 7131039
N-[5-(hydrazinecarbonyl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 15509074
N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 56557423
1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
CID 1437848
4-methoxy-N-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]benzamide
CID 51118545

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride?
The IUPAC name of 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride (CID 177253186) is 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride.
What is the SMILES notation for 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride?
The canonical SMILES for 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride is CCNC(=O)Nc1ccc(C(=O)NN)cc1-c1ccc(OC)cc1.Cl.
What is the InChIKey of 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride?
The InChIKey is ZJKUUIMXTKVTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3.ClH/c1-3-19-17(23)20-15-9-6-12(16(22)21-18)10-14(15)11-4-7-13(24-2)8-5-11;/h4-10H,3,18H2,1-2H3,(H,21,22)(H2,19,20,23);1H.
What are the key properties of 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride?
1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride has a molecular weight of 364.83 g/mol, XLogP of 2.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride is sourced from PubChem (CID 177253186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).