1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea

C20H26N4O — CID 36824225

IUPAC1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
SMILESCCN1CCN(c2ccc(NC(=O)Nc3ccccc3)c(C)c2)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-11-13-24(14-12-23)18-9-10-19(16(2)15-18)22-20(25)21-17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3,(H2,21,22,25)
InChIKeyPZRTWSQGLQSECN-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.78
Rot. Bonds4

About 1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea

1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea (PubChem CID 36824225) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
PubChem CID36824225
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
SMILESCCN1CCN(c2ccc(NC(=O)Nc3ccccc3)c(C)c2)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-11-13-24(14-12-23)18-9-10-19(16(2)15-18)22-20(25)21-17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3,(H2,21,22,25)
InChIKeyPZRTWSQGLQSECN-UHFFFAOYSA-N
XLogP3.78
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 48741053
1-(4-cyanophenyl)-3-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]urea
CID 55570624
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-nitrophenyl)urea
CID 78786353
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933446
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide
CID 102603576
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-phenoxyphenyl)thiourea
CID 4854213
2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 34193676
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610358
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515176
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-fluorophenyl)acetamide
CID 24571040

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea (CID 36824225) is 1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea is CCN1CCN(c2ccc(NC(=O)Nc3ccccc3)c(C)c2)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea?
The InChIKey is PZRTWSQGLQSECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-23-11-13-24(14-12-23)18-9-10-19(16(2)15-18)22-20(25)21-17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea?
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea has a molecular weight of 338.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea is sourced from PubChem (CID 36824225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).