1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea

C19H24N4O2 — CID 69448711

IUPAC1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-2-25-18-6-4-3-5-17(18)22-19(24)21-15-7-9-16(10-8-15)23-13-11-20-12-14-23/h3-10,20H,2,11-14H2,1H3,(H2,21,22,24)
InChIKeyACRDNSUQOOEZOY-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.14
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea

1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea (PubChem CID 69448711) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
PubChem CID69448711
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-2-25-18-6-4-3-5-17(18)22-19(24)21-15-7-9-16(10-8-15)23-13-11-20-12-14-23/h3-10,20H,2,11-14H2,1H3,(H2,21,22,24)
InChIKeyACRDNSUQOOEZOY-UHFFFAOYSA-N
XLogP3.14
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-3-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]urea
CID 172888667
N-(2,6-dimethylphenyl)-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 90750957
N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 4043726
1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69452265
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69451114
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109039758
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592828
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 69448676

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea (CID 69448711) is 1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea is CCOc1ccccc1NC(=O)Nc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea?
The InChIKey is ACRDNSUQOOEZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-25-18-6-4-3-5-17(18)22-19(24)21-15-7-9-16(10-8-15)23-13-11-20-12-14-23/h3-10,20H,2,11-14H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea?
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea has a molecular weight of 340.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea is sourced from PubChem (CID 69448711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).