1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea

C25H30N4O2 — CID 154773806

IUPAC1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea
SMILESCCN1CCN(c2ccc(NC(=O)NCCOc3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C25H30N4O2/c1-2-28-14-16-29(17-15-28)23-10-8-22(9-11-23)27-25(30)26-13-18-31-24-12-7-20-5-3-4-6-21(20)19-24/h3-12,19H,2,13-18H2,1H3,(H2,26,27,30)
InChIKeyTYCQDLXLMOJLFL-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.18
Rot. Bonds7

About 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea

1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea (PubChem CID 154773806) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea
PubChem CID154773806
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea
SMILESCCN1CCN(c2ccc(NC(=O)NCCOc3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C25H30N4O2/c1-2-28-14-16-29(17-15-28)23-10-8-22(9-11-23)27-25(30)26-13-18-31-24-12-7-20-5-3-4-6-21(20)19-24/h3-12,19H,2,13-18H2,1H3,(H2,26,27,30)
InChIKeyTYCQDLXLMOJLFL-UHFFFAOYSA-N
XLogP4.18
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975907
1-[2-(3-ethoxyphenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 112973086
1-[2-(3,5-dimethylphenoxy)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 112974032
3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 2200234
1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010
1-butyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 3295410
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 112974029
N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 21216609
1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 112970406
1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056881
N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
CID 6489765
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 2969652

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea (CID 154773806) is 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea is CCN1CCN(c2ccc(NC(=O)NCCOc3ccc4ccccc4c3)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea?
The InChIKey is TYCQDLXLMOJLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-2-28-14-16-29(17-15-28)23-10-8-22(9-11-23)27-25(30)26-13-18-31-24-12-7-20-5-3-4-6-21(20)19-24/h3-12,19H,2,13-18H2,1H3,(H2,26,27,30).
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea?
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea has a molecular weight of 418.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea is sourced from PubChem (CID 154773806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).