6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C17H30N2O2 — CID 114945814

IUPAC6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCCC1CCC(NC(=O)C2(N)C3CCOC3C2(C)C)CC1
InChIInChI=1S/C17H30N2O2/c1-4-11-5-7-12(8-6-11)19-15(20)17(18)13-9-10-21-14(13)16(17,2)3/h11-14H,4-10,18H2,1-3H3,(H,19,20)
InChIKeyATKXBMOHAQWAKM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.21
Rot. Bonds3

About 6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945814) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945814
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCCC1CCC(NC(=O)C2(N)C3CCOC3C2(C)C)CC1
InChIInChI=1S/C17H30N2O2/c1-4-11-5-7-12(8-6-11)19-15(20)17(18)13-9-10-21-14(13)16(17,2)3/h11-14H,4-10,18H2,1-3H3,(H,19,20)
InChIKeyATKXBMOHAQWAKM-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945084
6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946373
6-amino-7,7-dimethyl-N-(1-oxothian-4-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946664
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
7-amino-8,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945326
ethyl 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoate
CID 114945907
6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946442
6-amino-7,7-dimethyl-N-(2-methylcyclopentyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946033
(2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
CID 104985262
6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945014
6-amino-N-(cyanomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945766
6-amino-N-(2-cyclobutylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946658

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945814) is 6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CCC1CCC(NC(=O)C2(N)C3CCOC3C2(C)C)CC1.
What is the InChIKey of 6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is ATKXBMOHAQWAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-11-5-7-12(8-6-11)19-15(20)17(18)13-9-10-21-14(13)16(17,2)3/h11-14H,4-10,18H2,1-3H3,(H,19,20).
What are the key properties of 6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).