6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C16H30N2O3 — CID 106011152

IUPAC6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(C)OCCCCNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)20-9-6-5-8-18-14(19)16(17)12-7-10-21-13(12)15(16,3)4/h11-13H,5-10,17H2,1-4H3,(H,18,19)
InChIKeyBHWWKZRUBOEPIC-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.45
Rot. Bonds7

About 6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 106011152) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID106011152
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(C)OCCCCNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)20-9-6-5-8-18-14(19)16(17)12-7-10-21-13(12)15(16,3)4/h11-13H,5-10,17H2,1-4H3,(H,18,19)
InChIKeyBHWWKZRUBOEPIC-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-7,7-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106047612
6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945737
6-amino-N-(5-hydroxy-4-methylpentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106161204
6-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]hexanoic acid
CID 114945669
4-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
CID 114945668
6-amino-N-[3-(diethylamino)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945130
ethyl 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoate
CID 114945907
6-amino-N-(2-cyclobutylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946658
6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945983
6-amino-N-[2-(methanesulfonamido)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945393
6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106336925
6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946736

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 106011152) is 6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC(C)OCCCCNC(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is BHWWKZRUBOEPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)20-9-6-5-8-18-14(19)16(17)12-7-10-21-13(12)15(16,3)4/h11-13H,5-10,17H2,1-4H3,(H,18,19).
What are the key properties of 6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 106011152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).