1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea

C16H26N2O3 — CID 86871424

IUPAC1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea
SMILESCCOCc1ccccc1NC(=O)NCCCCCOC
InChIInChI=1S/C16H26N2O3/c1-3-21-13-14-9-5-6-10-15(14)18-16(19)17-11-7-4-8-12-20-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H2,17,18,19)
InChIKeyOZHNXJODHOCEMU-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.16
Rot. Bonds10

About 1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea

1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea (PubChem CID 86871424) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea.

Molecular Properties

Compound Name1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea
PubChem CID86871424
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea
SMILESCCOCc1ccccc1NC(=O)NCCCCCOC
InChIInChI=1S/C16H26N2O3/c1-3-21-13-14-9-5-6-10-15(14)18-16(19)17-11-7-4-8-12-20-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H2,17,18,19)
InChIKeyOZHNXJODHOCEMU-UHFFFAOYSA-N
XLogP3.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea
CID 86871522
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 60562580
2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
CID 63747383
N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
[2-(butylcarbamoylamino)phenyl]methyl acetate
CID 174857263
1-[2-(ethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431488
1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 86999004
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437639
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea?
The IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea (CID 86871424) is 1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea.
What is the SMILES notation for 1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea?
The canonical SMILES for 1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea is CCOCc1ccccc1NC(=O)NCCCCCOC.
What is the InChIKey of 1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea?
The InChIKey is OZHNXJODHOCEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-21-13-14-9-5-6-10-15(14)18-16(19)17-11-7-4-8-12-20-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea?
1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea has a molecular weight of 294.40 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea is sourced from PubChem (CID 86871424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).