3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea

C17H26N2O3 — CID 124865919

IUPAC3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea
SMILESC[C@H](c1ccco1)N(C)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C
InChIInChI=1S/C17H26N2O3/c1-11(13-8-6-9-21-13)19(4)16(20)18-14-12-7-5-10-22-15(12)17(14,2)3/h6,8-9,11-12,14-15H,5,7,10H2,1-4H3,(H,18,20)/t11-,12-,14-,15-/m1/s1
InChIKeyHRVIXERKYSACMM-QHSBEEBCSA-N
MW306.41 g/mol
LogP3.19
Rot. Bonds3

About 3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea

3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea (PubChem CID 124865919) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea
PubChem CID124865919
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea
SMILESC[C@H](c1ccco1)N(C)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C
InChIInChI=1S/C17H26N2O3/c1-11(13-8-6-9-21-13)19(4)16(20)18-14-12-7-5-10-22-15(12)17(14,2)3/h6,8-9,11-12,14-15H,5,7,10H2,1-4H3,(H,18,20)/t11-,12-,14-,15-/m1/s1
InChIKeyHRVIXERKYSACMM-QHSBEEBCSA-N
XLogP3.19
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81402535
3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122003730
4-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)carbamoyl]benzoic acid
CID 119186592
1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea
CID 146083195
N-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-3-(phenoxymethyl)furan-2-carboxamide
CID 100899029
N-[(1R,6S,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-4-pyrazol-1-ylbenzamide
CID 100899001
1-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64865173
8,8-dimethyl-N-(2-phenylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863032
1-benzyl-1-(2,2-difluoroethyl)-3-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 97225282
3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-dimethylpropanamide
CID 64864982
4-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]benzoic acid
CID 125132974
2-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenol
CID 115655104

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea?
The IUPAC name of 3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea (CID 124865919) is 3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea.
What is the SMILES notation for 3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea?
The canonical SMILES for 3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea is C[C@H](c1ccco1)N(C)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C.
What is the InChIKey of 3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea?
The InChIKey is HRVIXERKYSACMM-QHSBEEBCSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(13-8-6-9-21-13)19(4)16(20)18-14-12-7-5-10-22-15(12)17(14,2)3/h6,8-9,11-12,14-15H,5,7,10H2,1-4H3,(H,18,20)/t11-,12-,14-,15-/m1/s1.
What are the key properties of 3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea?
3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea has a molecular weight of 306.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea is sourced from PubChem (CID 124865919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).