6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C17H24N2O2 — CID 114945161

IUPAC6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCCN(C(=O)C1(N)C2CCOC2C1(C)C)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-4-19(12-8-6-5-7-9-12)15(20)17(18)13-10-11-21-14(13)16(17,2)3/h5-9,13-14H,4,10-11,18H2,1-3H3
InChIKeyWZXKSWZFYGBEOZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.18
Rot. Bonds3

About 6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945161) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945161
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCCN(C(=O)C1(N)C2CCOC2C1(C)C)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-4-19(12-8-6-5-7-9-12)15(20)17(18)13-10-11-21-14(13)16(17,2)3/h5-9,13-14H,4,10-11,18H2,1-3H3
InChIKeyWZXKSWZFYGBEOZ-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
6-amino-N-cyclopropyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945284
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 114945932
6-amino-N-(2,6-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945252
6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106915296
2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid
CID 114945707
N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 18834295
6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946520
6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946373
3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid
CID 114946205
3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114946454
6-amino-N-(2-fluoro-4-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945241

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945161) is 6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CCN(C(=O)C1(N)C2CCOC2C1(C)C)c1ccccc1.
What is the InChIKey of 6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is WZXKSWZFYGBEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-19(12-8-6-5-7-9-12)15(20)17(18)13-10-11-21-14(13)16(17,2)3/h5-9,13-14H,4,10-11,18H2,1-3H3.
What are the key properties of 6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).