6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C15H28N2O4 — CID 114945737

IUPAC6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCOCCOCCCNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H28N2O4/c1-14(2)12-11(5-8-21-12)15(14,16)13(18)17-6-4-7-20-10-9-19-3/h11-12H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyLUOHAFXCWQVVIJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.30
Rot. Bonds8

About 6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945737) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945737
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCOCCOCCCNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H28N2O4/c1-14(2)12-11(5-8-21-12)15(14,16)13(18)17-6-4-7-20-10-9-19-3/h11-12H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyLUOHAFXCWQVVIJ-UHFFFAOYSA-N
XLogP0.30
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945983
4-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
CID 114945668
6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106011152
6-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]hexanoic acid
CID 114945669
6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106254794
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-(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-(5-hydroxy-4-methylpentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106161204
6-amino-N-(cyanomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945766
6-amino-N-(2-cyclobutylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946658
6-amino-N-[2-(methanesulfonamido)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945393

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945737) is 6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is COCCOCCCNC(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is LUOHAFXCWQVVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(2)12-11(5-8-21-12)15(14,16)13(18)17-6-4-7-20-10-9-19-3/h11-12H,4-10,16H2,1-3H3,(H,17,18).
What are the key properties of 6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).