1-(2-butoxyethyl)-3-(3-methylphenyl)urea

C14H22N2O2 — CID 141077224

IUPAC1-(2-butoxyethyl)-3-(3-methylphenyl)urea
SMILESCCCCOCCNC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-18-10-8-15-14(17)16-13-7-5-6-12(2)11-13/h5-7,11H,3-4,8-10H2,1-2H3,(H2,15,16,17)
InChIKeyPCZQRTUQRGACSU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.93
Rot. Bonds7

About 1-(2-butoxyethyl)-3-(3-methylphenyl)urea

1-(2-butoxyethyl)-3-(3-methylphenyl)urea (PubChem CID 141077224) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-butoxyethyl)-3-(3-methylphenyl)urea
PubChem CID141077224
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2-butoxyethyl)-3-(3-methylphenyl)urea
SMILESCCCCOCCNC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-18-10-8-15-14(17)16-13-7-5-6-12(2)11-13/h5-7,11H,3-4,8-10H2,1-2H3,(H2,15,16,17)
InChIKeyPCZQRTUQRGACSU-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-butoxyethyl)-3-(3-methylphenyl)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-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea
CID 127566183
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
1-(3-butoxypropyl)-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825525
2-[2-(2-butoxyethoxy)ethyl]-1-(3-methylphenyl)guanidine
CID 111821799
ethyl 3-(3-propoxypropylcarbamoylamino)benzoate
CID 3693237
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61132641
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
1-(2,2-dimethoxyethyl)-3-(3-methylphenyl)urea
CID 4524183
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879448
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(2-butoxyethyl)-3-(3-methylphenyl)urea (CID 141077224) is 1-(2-butoxyethyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(2-butoxyethyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(2-butoxyethyl)-3-(3-methylphenyl)urea is CCCCOCCNC(=O)Nc1cccc(C)c1.
What is the InChIKey of 1-(2-butoxyethyl)-3-(3-methylphenyl)urea?
The InChIKey is PCZQRTUQRGACSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-9-18-10-8-15-14(17)16-13-7-5-6-12(2)11-13/h5-7,11H,3-4,8-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(2-butoxyethyl)-3-(3-methylphenyl)urea?
1-(2-butoxyethyl)-3-(3-methylphenyl)urea has a molecular weight of 250.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 141077224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).