1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea

C18H24N2O2 — CID 97216512

IUPAC1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea
SMILESCC1(C)[C@H](NC(=O)NC2(c3ccccc3)CC2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C18H24N2O2/c1-17(2)14(13-8-11-22-15(13)17)19-16(21)20-18(9-10-18)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3,(H2,19,20,21)/t13-,14+,15-/m0/s1
InChIKeyFVQSPBHPHDFWCC-ZNMIVQPWSA-N
MW300.40 g/mol
LogP2.79
Rot. Bonds3

About 1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea

1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea (PubChem CID 97216512) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea
PubChem CID97216512
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea
SMILESCC1(C)[C@H](NC(=O)NC2(c3ccccc3)CC2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C18H24N2O2/c1-17(2)14(13-8-11-22-15(13)17)19-16(21)20-18(9-10-18)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3,(H2,19,20,21)/t13-,14+,15-/m0/s1
InChIKeyFVQSPBHPHDFWCC-ZNMIVQPWSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea with MolForge

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Related Compounds

1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 97220226
1-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[2-(2-phenylethoxy)ethyl]urea
CID 100893866
4-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]benzoic acid
CID 125132974
2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide
CID 119945623
3-[[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]benzoic acid
CID 124682594
1-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125148199
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111459175
6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119185912
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111459174
1-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-4-yl)urea
CID 96508407
1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea
CID 110490785
1-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 99810788

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea (CID 97216512) is 1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea is CC1(C)[C@H](NC(=O)NC2(c3ccccc3)CC2)[C@@H]2CCO[C@@H]21.
What is the InChIKey of 1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea?
The InChIKey is FVQSPBHPHDFWCC-ZNMIVQPWSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-17(2)14(13-8-11-22-15(13)17)19-16(21)20-18(9-10-18)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3,(H2,19,20,21)/t13-,14+,15-/m0/s1.
What are the key properties of 1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea?
1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea has a molecular weight of 300.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 97216512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).