methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate

C16H22N2O3 — CID 64865467

IUPACmethyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2C3CCOC3C2(C)C)c1
InChIInChI=1S/C16H22N2O3/c1-16(2)13(12-7-8-21-14(12)16)17-10-5-4-6-11(9-10)18-15(19)20-3/h4-6,9,12-14,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyNVIZOCJESBNCBV-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.09
Rot. Bonds3

About methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate

methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate (PubChem CID 64865467) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate
PubChem CID64865467
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2C3CCOC3C2(C)C)c1
InChIInChI=1S/C16H22N2O3/c1-16(2)13(12-7-8-21-14(12)16)17-10-5-4-6-11(9-10)18-15(19)20-3/h4-6,9,12-14,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyNVIZOCJESBNCBV-UHFFFAOYSA-N
XLogP3.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate with MolForge

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Related Compounds

4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]benzoic acid
CID 64862917
N-(4-methoxy-3-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863144
N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-4-fluorophenyl]acetamide
CID 64863306
7,7-dimethyl-N-(4-methylphenyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64870061
N-(4-fluoro-3-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862761
N-(4-iodophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865047
N-(3-imidazol-1-ylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864855
1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[3-(phenylsulfamoyl)phenyl]urea
CID 97341772
N-(2-methoxyphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64870455
3-[[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]benzoic acid
CID 124682594
methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate
CID 54864154
methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
CID 60944093

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate (CID 64865467) is methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate is COC(=O)Nc1cccc(NC2C3CCOC3C2(C)C)c1.
What is the InChIKey of methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate?
The InChIKey is NVIZOCJESBNCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2)13(12-7-8-21-14(12)16)17-10-5-4-6-11(9-10)18-15(19)20-3/h4-6,9,12-14,17H,7-8H2,1-3H3,(H,18,19).
What are the key properties of methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate?
methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate has a molecular weight of 290.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]phenyl]carbamate is sourced from PubChem (CID 64865467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).