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

C16H28N2O3 — CID 114945919

IUPAC7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCOC1CCCC1NC(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C16H28N2O3/c1-15(2)13-10(6-5-9-21-13)16(15,17)14(19)18-11-7-4-8-12(11)20-3/h10-13H,4-9,17H2,1-3H3,(H,18,19)
InChIKeyNXELVNRCDDIEOL-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.20
Rot. Bonds3

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

7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 114945919) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID114945919
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCOC1CCCC1NC(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C16H28N2O3/c1-15(2)13-10(6-5-9-21-13)16(15,17)14(19)18-11-7-4-8-12(11)20-3/h10-13H,4-9,17H2,1-3H3,(H,18,19)
InChIKeyNXELVNRCDDIEOL-UHFFFAOYSA-N
XLogP1.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
6-amino-7,7-dimethyl-N-(2-methylcyclopentyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946033
7-amino-8,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945326
7-amino-8,8-dimethyl-N-(2-methylbut-3-yn-2-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946117
7-amino-N-(4-methoxybutan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946189
1-amino-N-(2-methoxycyclopentyl)cyclopropane-1-carboxamide
CID 65466235
6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945084
N-(2-acetamidoethyl)-7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945398
7-amino-N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946451
7-amino-N-[(1S)-1-cyclopentylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 104985278
7-amino-8,8-dimethyl-N-[2-(methylamino)-2-oxoethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945312
(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-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 114945919) is 7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is COC1CCCC1NC(=O)C1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is NXELVNRCDDIEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2)13-10(6-5-9-21-13)16(15,17)14(19)18-11-7-4-8-12(11)20-3/h10-13H,4-9,17H2,1-3H3,(H,18,19).
What are the key properties of 7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-methoxycyclopentyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 114945919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).