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

C17H30N2O2 — CID 114945528

IUPAC7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC1(C)C2OCCCC2C1(N)C(=O)NCCC1CCCC1
InChIInChI=1S/C17H30N2O2/c1-16(2)14-13(8-5-11-21-14)17(16,18)15(20)19-10-9-12-6-3-4-7-12/h12-14H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyVSKXPBKILPRJOM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.22
Rot. Bonds4

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

7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 114945528) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID114945528
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC1(C)C2OCCCC2C1(N)C(=O)NCCC1CCCC1
InChIInChI=1S/C17H30N2O2/c1-16(2)14-13(8-5-11-21-14)17(16,18)15(20)19-10-9-12-6-3-4-7-12/h12-14H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyVSKXPBKILPRJOM-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-(2-cyclobutylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946658
N-(2-acetamidoethyl)-7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945398
7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 102611573
7-amino-N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946451
7-amino-8,8-dimethyl-N-(2,3,3-trimethylbutyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946542
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
7-amino-8,8-dimethyl-N-[(3-methylcyclopentyl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 107413186
7-amino-8,8-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106427671
7-amino-N-(2-cyclopropylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946645
7-amino-8,8-dimethyl-N-(2-methylsulfinylpropyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946670
7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945819
7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106397626

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 114945528) is 7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is CC1(C)C2OCCCC2C1(N)C(=O)NCCC1CCCC1.
What is the InChIKey of 7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is VSKXPBKILPRJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-16(2)14-13(8-5-11-21-14)17(16,18)15(20)19-10-9-12-6-3-4-7-12/h12-14H,3-11,18H2,1-2H3,(H,19,20).
What are the key properties of 7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 114945528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).