1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea

C20H26N4O — CID 108991540

IUPAC1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
SMILESCCN(C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-3-24(19-7-5-4-6-8-19)20(25)21-17-9-11-18(12-10-17)23-15-13-22(2)14-16-23/h4-12H,3,13-16H2,1-2H3,(H,21,25)
InChIKeyMKDDPOGEGDEEHS-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.50
Rot. Bonds4

About 1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea

1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea (PubChem CID 108991540) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea.

Molecular Properties

Compound Name1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
PubChem CID108991540
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
SMILESCCN(C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-3-24(19-7-5-4-6-8-19)20(25)21-17-9-11-18(12-10-17)23-15-13-22(2)14-16-23/h4-12H,3,13-16H2,1-2H3,(H,21,25)
InChIKeyMKDDPOGEGDEEHS-UHFFFAOYSA-N
XLogP3.50
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
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-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea
CID 108991537
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide
CID 113177424
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
1-(4-ethoxyphenyl)-1-ethyl-3-(4-thiomorpholin-4-ylphenyl)urea
CID 154759649
2-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010683
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53280050
N-ethyl-2-oxo-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 108518692
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141275
phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 4552577
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea?
The IUPAC name of 1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea (CID 108991540) is 1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea.
What is the SMILES notation for 1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea?
The canonical SMILES for 1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea is CCN(C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1.
What is the InChIKey of 1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea?
The InChIKey is MKDDPOGEGDEEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-24(19-7-5-4-6-8-19)20(25)21-17-9-11-18(12-10-17)23-15-13-22(2)14-16-23/h4-12H,3,13-16H2,1-2H3,(H,21,25).
What are the key properties of 1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea?
1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea has a molecular weight of 338.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea is sourced from PubChem (CID 108991540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).