1-[2-(ethoxymethyl)phenyl]-3-hexylurea

C16H26N2O2 — CID 60562677

IUPAC1-[2-(ethoxymethyl)phenyl]-3-hexylurea
SMILESCCCCCCNC(=O)Nc1ccccc1COCC
InChIInChI=1S/C16H26N2O2/c1-3-5-6-9-12-17-16(19)18-15-11-8-7-10-14(15)13-20-4-2/h7-8,10-11H,3-6,9,12-13H2,1-2H3,(H2,17,18,19)
InChIKeyLGZWKDUIHSRXPV-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.92
Rot. Bonds9

About 1-[2-(ethoxymethyl)phenyl]-3-hexylurea

1-[2-(ethoxymethyl)phenyl]-3-hexylurea (PubChem CID 60562677) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(ethoxymethyl)phenyl]-3-hexylurea.

Molecular Properties

Compound Name1-[2-(ethoxymethyl)phenyl]-3-hexylurea
PubChem CID60562677
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(ethoxymethyl)phenyl]-3-hexylurea
SMILESCCCCCCNC(=O)Nc1ccccc1COCC
InChIInChI=1S/C16H26N2O2/c1-3-5-6-9-12-17-16(19)18-15-11-8-7-10-14(15)13-20-4-2/h7-8,10-11H,3-6,9,12-13H2,1-2H3,(H2,17,18,19)
InChIKeyLGZWKDUIHSRXPV-UHFFFAOYSA-N
XLogP3.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(ethoxymethyl)phenyl]-3-hexylurea 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-(5-methoxypentyl)urea
CID 86871424
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
CID 60577078
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
[2-(butylcarbamoylamino)phenyl]methyl acetate
CID 174857263
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
1-(2-aminophenyl)-3-nonylurea
CID 177454724
1-[2-(ethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431488
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437639
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 60562580
1-dodecyl-3-phenylurea
CID 3697946
N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 86821848
1-[2-(phenoxymethyl)phenyl]-3-propylurea
CID 60545912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-hexylurea?
The IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-hexylurea (CID 60562677) is 1-[2-(ethoxymethyl)phenyl]-3-hexylurea.
What is the SMILES notation for 1-[2-(ethoxymethyl)phenyl]-3-hexylurea?
The canonical SMILES for 1-[2-(ethoxymethyl)phenyl]-3-hexylurea is CCCCCCNC(=O)Nc1ccccc1COCC.
What is the InChIKey of 1-[2-(ethoxymethyl)phenyl]-3-hexylurea?
The InChIKey is LGZWKDUIHSRXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-5-6-9-12-17-16(19)18-15-11-8-7-10-14(15)13-20-4-2/h7-8,10-11H,3-6,9,12-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[2-(ethoxymethyl)phenyl]-3-hexylurea?
1-[2-(ethoxymethyl)phenyl]-3-hexylurea has a molecular weight of 278.40 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethyl)phenyl]-3-hexylurea is sourced from PubChem (CID 60562677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).