7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

C14H25N3O3 — CID 103101969

IUPAC7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCCN(CC(N)=O)C(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C14H25N3O3/c1-4-17(8-10(15)18)12(19)14(16)9-6-5-7-20-11(9)13(14,2)3/h9,11H,4-8,16H2,1-3H3,(H2,15,18)
InChIKeyPMRAQPWCGBJZFP-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.15
Rot. Bonds4

About 7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 103101969) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID103101969
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCCN(CC(N)=O)C(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C14H25N3O3/c1-4-17(8-10(15)18)12(19)14(16)9-6-5-7-20-11(9)13(14,2)3/h9,11H,4-8,16H2,1-3H3,(H2,15,18)
InChIKeyPMRAQPWCGBJZFP-UHFFFAOYSA-N
XLogP-0.15
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide with MolForge

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Related Compounds

6-amino-N-(cyclopropylmethyl)-N-ethyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946101
2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-prop-2-enylamino]acetic acid
CID 114946331
2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid
CID 114945707
6-amino-N-ethyl-N-(2-ethylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945446
methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate
CID 114945591
3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 114945979
7-amino-N,8,8-trimethyl-N-(oxan-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945462
7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945102
7-amino-N,8,8-trimethyl-N-(thiophen-3-ylmethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945364
6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946484
6-amino-N-cyclobutyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946822
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone
CID 114945001

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 103101969) is 7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is CCN(CC(N)=O)C(=O)C1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is PMRAQPWCGBJZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-17(8-10(15)18)12(19)14(16)9-6-5-7-20-11(9)13(14,2)3/h9,11H,4-8,16H2,1-3H3,(H2,15,18).
What are the key properties of 7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 103101969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).