7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

C15H28N2O3 — CID 114946739

IUPAC7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCCC(CCO)NC(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C15H28N2O3/c1-4-10(7-8-18)17-13(19)15(16)11-6-5-9-20-12(11)14(15,2)3/h10-12,18H,4-9,16H2,1-3H3,(H,17,19)
InChIKeyZBBDOGJTNOOLEL-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.80
Rot. Bonds5

About 7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 114946739) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID114946739
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCCC(CCO)NC(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C15H28N2O3/c1-4-10(7-8-18)17-13(19)15(16)11-6-5-9-20-12(11)14(15,2)3/h10-12,18H,4-9,16H2,1-3H3,(H,17,19)
InChIKeyZBBDOGJTNOOLEL-UHFFFAOYSA-N
XLogP0.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide with MolForge

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Related Compounds

7-amino-N-(2-ethyl-4-hydroxybutyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946388
(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
7-amino-N-(3-hydroxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946216
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-N-but-3-yn-2-yl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946989
7-amino-N-(2-cyclopropylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946645
7-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945432
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoic acid
CID 114945681
7-amino-8,8-dimethyl-N-(2,3,3-trimethylbutyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946542

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 114946739) is 7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is CCC(CCO)NC(=O)C1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is ZBBDOGJTNOOLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-10(7-8-18)17-13(19)15(16)11-6-5-9-20-12(11)14(15,2)3/h10-12,18H,4-9,16H2,1-3H3,(H,17,19).
What are the key properties of 7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1-hydroxypentan-3-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 114946739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).