6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C15H29N3O3 — CID 114945983

IUPAC6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCOCCN(C)CCNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H29N3O3/c1-14(2)12-11(5-9-21-12)15(14,16)13(19)17-6-7-18(3)8-10-20-4/h11-12H,5-10,16H2,1-4H3,(H,17,19)
InChIKeyKOIVFLANBYJDBF-UHFFFAOYSA-N
MW299.42 g/mol
LogP-0.18
Rot. Bonds7

About 6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945983) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945983
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCOCCN(C)CCNC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H29N3O3/c1-14(2)12-11(5-9-21-12)15(14,16)13(19)17-6-7-18(3)8-10-20-4/h11-12H,5-10,16H2,1-4H3,(H,17,19)
InChIKeyKOIVFLANBYJDBF-UHFFFAOYSA-N
XLogP-0.18
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

6-amino-N-[3-(2-methoxyethoxy)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945737
6-amino-7,7-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106047612
ethyl 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoate
CID 114945907
6-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106254794
6-amino-N-[3-(diethylamino)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945130
6-amino-N-(cyanomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945766
6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106011152
4-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
CID 114945668
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
6-amino-N-(2-ethylsulfinylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946736
6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106336925

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945983) is 6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is COCCN(C)CCNC(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is KOIVFLANBYJDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-14(2)12-11(5-9-21-12)15(14,16)13(19)17-6-7-18(3)8-10-20-4/h11-12H,5-10,16H2,1-4H3,(H,17,19).
What are the key properties of 6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 299.42 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).