1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea

C18H24N2O2 — CID 98849832

IUPAC1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
SMILESO=C(N[C@@H](c1ccccc1)C1CCC1)N[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C18H24N2O2/c21-18(19-15-11-14-9-10-16(15)22-14)20-17(13-7-4-8-13)12-5-2-1-3-6-12/h1-3,5-6,13-17H,4,7-11H2,(H2,19,20,21)/t14-,15-,16-,17+/m1/s1
InChIKeyKAYRQOUGKRMBSZ-VQHPVUNQSA-N
MW300.40 g/mol
LogP3.15
Rot. Bonds4

About 1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea

1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea (PubChem CID 98849832) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea.

Molecular Properties

Compound Name1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
PubChem CID98849832
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
SMILESO=C(N[C@@H](c1ccccc1)C1CCC1)N[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C18H24N2O2/c21-18(19-15-11-14-9-10-16(15)22-14)20-17(13-7-4-8-13)12-5-2-1-3-6-12/h1-3,5-6,13-17H,4,7-11H2,(H2,19,20,21)/t14-,15-,16-,17+/m1/s1
InChIKeyKAYRQOUGKRMBSZ-VQHPVUNQSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea?
The IUPAC name of 1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea (CID 98849832) is 1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea.
What is the SMILES notation for 1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea?
The canonical SMILES for 1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea is O=C(N[C@@H](c1ccccc1)C1CCC1)N[C@@H]1C[C@H]2CC[C@H]1O2.
What is the InChIKey of 1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea?
The InChIKey is KAYRQOUGKRMBSZ-VQHPVUNQSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-18(19-15-11-14-9-10-16(15)22-14)20-17(13-7-4-8-13)12-5-2-1-3-6-12/h1-3,5-6,13-17H,4,7-11H2,(H2,19,20,21)/t14-,15-,16-,17+/m1/s1.
What are the key properties of 1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea?
1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea has a molecular weight of 300.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea is sourced from PubChem (CID 98849832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).