1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea

C18H28N2O3 — CID 110019268

IUPAC1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea
SMILESO=C(NCCC1CCCCO1)NCC(CCO)c1ccccc1
InChIInChI=1S/C18H28N2O3/c21-12-10-16(15-6-2-1-3-7-15)14-20-18(22)19-11-9-17-8-4-5-13-23-17/h1-3,6-7,16-17,21H,4-5,8-14H2,(H2,19,20,22)
InChIKeyBCUGLYAIKVGDFH-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.41
Rot. Bonds8

About 1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea

1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea (PubChem CID 110019268) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea
PubChem CID110019268
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea
SMILESO=C(NCCC1CCCCO1)NCC(CCO)c1ccccc1
InChIInChI=1S/C18H28N2O3/c21-12-10-16(15-6-2-1-3-7-15)14-20-18(22)19-11-9-17-8-4-5-13-23-17/h1-3,6-7,16-17,21H,4-5,8-14H2,(H2,19,20,22)
InChIKeyBCUGLYAIKVGDFH-UHFFFAOYSA-N
XLogP2.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea
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1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea (CID 110019268) is 1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea is O=C(NCCC1CCCCO1)NCC(CCO)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea?
The InChIKey is BCUGLYAIKVGDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c21-12-10-16(15-6-2-1-3-7-15)14-20-18(22)19-11-9-17-8-4-5-13-23-17/h1-3,6-7,16-17,21H,4-5,8-14H2,(H2,19,20,22).
What are the key properties of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea?
1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea is sourced from PubChem (CID 110019268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).