1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea

C19H24N2O3 — CID 100747319

IUPAC1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1ccccc1CCCNC(=O)Nc1ccccc1OC
InChIInChI=1S/C19H24N2O3/c1-3-24-17-12-6-4-9-15(17)10-8-14-20-19(22)21-16-11-5-7-13-18(16)23-2/h4-7,9,11-13H,3,8,10,14H2,1-2H3,(H2,20,21,22)
InChIKeyRUNWUPUFUKFHAW-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.85
Rot. Bonds8

About 1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea

1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea (PubChem CID 100747319) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
PubChem CID100747319
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1ccccc1CCCNC(=O)Nc1ccccc1OC
InChIInChI=1S/C19H24N2O3/c1-3-24-17-12-6-4-9-15(17)10-8-14-20-19(22)21-16-11-5-7-13-18(16)23-2/h4-7,9,11-13H,3,8,10,14H2,1-2H3,(H2,20,21,22)
InChIKeyRUNWUPUFUKFHAW-UHFFFAOYSA-N
XLogP3.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea
CID 44589284
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
N-[3-(2-ethoxyphenyl)propyl]-2-(4-methoxyphenyl)acetamide
CID 92673607
1-(2-methoxyphenyl)-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
CID 64529656
1-(2,4-dimethoxyphenyl)-3-[3-(2-ethoxyphenyl)propyl]thiourea
CID 100614857
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea
CID 84518898
1-(3-cyanopropyl)-3-(2-methoxyphenyl)urea
CID 62666828
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea (CID 100747319) is 1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea is CCOc1ccccc1CCCNC(=O)Nc1ccccc1OC.
What is the InChIKey of 1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea?
The InChIKey is RUNWUPUFUKFHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-24-17-12-6-4-9-15(17)10-8-14-20-19(22)21-16-11-5-7-13-18(16)23-2/h4-7,9,11-13H,3,8,10,14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea?
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea has a molecular weight of 328.41 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 100747319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).