1-(oxan-4-yl)-3-(4-phenylbutyl)urea

C16H24N2O2 — CID 118398503

IUPAC1-(oxan-4-yl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)NC1CCOCC1
InChIInChI=1S/C16H24N2O2/c19-16(18-15-9-12-20-13-10-15)17-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,17,18,19)
InChIKeyYNQCNSFXOQYCLK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.49
Rot. Bonds6

About 1-(oxan-4-yl)-3-(4-phenylbutyl)urea

1-(oxan-4-yl)-3-(4-phenylbutyl)urea (PubChem CID 118398503) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-(4-phenylbutyl)urea
PubChem CID118398503
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(oxan-4-yl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)NC1CCOCC1
InChIInChI=1S/C16H24N2O2/c19-16(18-15-9-12-20-13-10-15)17-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,17,18,19)
InChIKeyYNQCNSFXOQYCLK-UHFFFAOYSA-N
XLogP2.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(oxan-4-yl)-3-(4-phenylbutyl)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-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
1-(1-ethylsulfonylpiperidin-4-yl)-3-(4-phenylbutyl)urea
CID 36520658
1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea
CID 100676097
N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
CID 23766297
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
CID 100676156
1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea
CID 124874916
1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea
CID 110608624
1-[2-(4-nitrophenyl)ethyl]-3-(oxan-4-yl)urea
CID 110632856
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
1-[(E)-2-cyclopropylethenyl]-3-(4-phenylbutyl)urea
CID 108916022
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(oxan-4-yl)-3-(4-phenylbutyl)urea (CID 118398503) is 1-(oxan-4-yl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(oxan-4-yl)-3-(4-phenylbutyl)urea is O=C(NCCCCc1ccccc1)NC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-(4-phenylbutyl)urea?
The InChIKey is YNQCNSFXOQYCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-16(18-15-9-12-20-13-10-15)17-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,17,18,19).
What are the key properties of 1-(oxan-4-yl)-3-(4-phenylbutyl)urea?
1-(oxan-4-yl)-3-(4-phenylbutyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 118398503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).