1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea

C19H28N2O2 — CID 124874916

IUPAC1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)N[C@@H]1CCCC12CCOCC2
InChIInChI=1S/C19H28N2O2/c22-18(20-13-5-8-16-6-2-1-3-7-16)21-17-9-4-10-19(17)11-14-23-15-12-19/h1-3,6-7,17H,4-5,8-15H2,(H2,20,21,22)/t17-/m1/s1
InChIKeyBANHKENHJHMOSI-QGZVFWFLSA-N
MW316.44 g/mol
LogP3.27
Rot. Bonds5

About 1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea

1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea (PubChem CID 124874916) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea
PubChem CID124874916
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)N[C@@H]1CCCC12CCOCC2
InChIInChI=1S/C19H28N2O2/c22-18(20-13-5-8-16-6-2-1-3-7-16)21-17-9-4-10-19(17)11-14-23-15-12-19/h1-3,6-7,17H,4-5,8-15H2,(H2,20,21,22)/t17-/m1/s1
InChIKeyBANHKENHJHMOSI-QGZVFWFLSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
1-(oxan-4-yl)-3-(4-phenylbutyl)urea
CID 118398503
1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea
CID 124855187
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504886
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
1-(7-oxaspiro[3.5]nonan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 122276524
1-benzyl-3-spiro[2.4]heptan-2-ylurea
CID 131137817
4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292784
1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea
CID 122276518
1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
CID 36509029
N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide
CID 122276557

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea (CID 124874916) is 1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)N[C@@H]1CCCC12CCOCC2.
What is the InChIKey of 1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea?
The InChIKey is BANHKENHJHMOSI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-18(20-13-5-8-16-6-2-1-3-7-16)21-17-9-4-10-19(17)11-14-23-15-12-19/h1-3,6-7,17H,4-5,8-15H2,(H2,20,21,22)/t17-/m1/s1.
What are the key properties of 1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea?
1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea has a molecular weight of 316.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 124874916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).