1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea

C19H24N2O2 — CID 24818671

IUPAC1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
SMILESCCOc1ccccc1NC(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-2-23-18-14-7-6-13-17(18)21-19(22)20-15-9-8-12-16-10-4-3-5-11-16/h3-7,10-11,13-14H,2,8-9,12,15H2,1H3,(H2,20,21,22)
InChIKeyRRDCUALUCWSDIR-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.23
Rot. Bonds8

About 1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea

1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea (PubChem CID 24818671) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
PubChem CID24818671
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
SMILESCCOc1ccccc1NC(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-2-23-18-14-7-6-13-17(18)21-19(22)20-15-9-8-12-16-10-4-3-5-11-16/h3-7,10-11,13-14H,2,8-9,12,15H2,1H3,(H2,20,21,22)
InChIKeyRRDCUALUCWSDIR-UHFFFAOYSA-N
XLogP4.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
CID 108871644
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
1-[(4-ethoxyphenoxy)methyl]-3-(4-phenylbutyl)urea
CID 108890956
2-(2-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 7867359

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea (CID 24818671) is 1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea is CCOc1ccccc1NC(=O)NCCCCc1ccccc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea?
The InChIKey is RRDCUALUCWSDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-23-18-14-7-6-13-17(18)21-19(22)20-15-9-8-12-16-10-4-3-5-11-16/h3-7,10-11,13-14H,2,8-9,12,15H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea?
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea has a molecular weight of 312.41 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 24818671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).