6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C17H32N2O2 — CID 114945758

IUPAC6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(C)CCCC(C)NC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C17H32N2O2/c1-11(2)7-6-8-12(3)19-15(20)17(18)13-9-10-21-14(13)16(17,4)5/h11-14H,6-10,18H2,1-5H3,(H,19,20)
InChIKeyWNQPRDOOTKREIH-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.46
Rot. Bonds6

About 6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945758) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945758
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(C)CCCC(C)NC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C17H32N2O2/c1-11(2)7-6-8-12(3)19-15(20)17(18)13-9-10-21-14(13)16(17,4)5/h11-14H,6-10,18H2,1-5H3,(H,19,20)
InChIKeyWNQPRDOOTKREIH-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoic acid
CID 114945681
(2S)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]-4-hydroxybutanoic acid
CID 107824762
7-amino-N-(4-methoxybutan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946189
(2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
CID 104985262
6-amino-N-(5-hydroxy-4-methylpentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106161204
6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946905
7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946739
6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945014
2-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-(6-methylheptan-2-yl)guanidine
CID 111815626
6-amino-7,7-dimethyl-N-(4-propan-2-yloxybutyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106011152
6-amino-7,7-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106047612
6-amino-N-(cyanomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945766

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945758) is 6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC(C)CCCC(C)NC(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is WNQPRDOOTKREIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-11(2)7-6-8-12(3)19-15(20)17(18)13-9-10-21-14(13)16(17,4)5/h11-14H,6-10,18H2,1-5H3,(H,19,20).
What are the key properties of 6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).