2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate

C16H25NO4 — CID 18522643

IUPAC2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate
SMILESO=C(NCC1CCC2OC2C1)OCCC12CCCCC1O2
InChIInChI=1S/C16H25NO4/c18-15(17-10-11-4-5-12-13(9-11)20-12)19-8-7-16-6-2-1-3-14(16)21-16/h11-14H,1-10H2,(H,17,18)
InChIKeyNOKWUBYHQFXGJC-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.38
Rot. Bonds5

About 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate

2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate (PubChem CID 18522643) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate.

Molecular Properties

Compound Name2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate
PubChem CID18522643
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate
SMILESO=C(NCC1CCC2OC2C1)OCCC12CCCCC1O2
InChIInChI=1S/C16H25NO4/c18-15(17-10-11-4-5-12-13(9-11)20-12)19-8-7-16-6-2-1-3-14(16)21-16/h11-14H,1-10H2,(H,17,18)
InChIKeyNOKWUBYHQFXGJC-UHFFFAOYSA-N
XLogP2.38
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate
CID 102321130
bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) hexanedioate;6-(7-oxabicyclo[4.1.0]heptan-1-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 175750856
2-(7-oxabicyclo[4.1.0]heptan-3-ylmethylamino)prop-2-enoic acid
CID 87626588
trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
CID 141140187
6-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 150491249
9-oxabicyclo[6.1.0]nonan-1-ylmethanol
CID 130147678
bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl] hexanedioate
CID 142748785
2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol;prop-2-enoic acid
CID 175319838
7-oxabicyclo[4.1.0]heptan-1-ylmethyl 2,2-dimethylpropanoate
CID 174909794
prop-2-enyl N-(cyclohexylmethyl)carbamate
CID 137320456
7-oxabicyclo[4.1.0]heptan-3-ylmethyl N-[4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxycarbonylamino)phenyl]carbamate
CID 18343654
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-hydroxyacetate
CID 59330504

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate?
The IUPAC name of 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate (CID 18522643) is 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate.
What is the SMILES notation for 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate?
The canonical SMILES for 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate is O=C(NCC1CCC2OC2C1)OCCC12CCCCC1O2.
What is the InChIKey of 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate?
The InChIKey is NOKWUBYHQFXGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c18-15(17-10-11-4-5-12-13(9-11)20-12)19-8-7-16-6-2-1-3-14(16)21-16/h11-14H,1-10H2,(H,17,18).
What are the key properties of 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate?
2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate has a molecular weight of 295.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)carbamate is sourced from PubChem (CID 18522643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).