3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen

C19H37NO2 — CID 145466061

IUPAC3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen
SMILESC=C(C)COCC(NC(=O)CCC1CCCCC1)C(C)(C)C.[H][H]
InChIInChI=1S/C19H35NO2.H2/c1-15(2)13-22-14-17(19(3,4)5)20-18(21)12-11-16-9-7-6-8-10-16;/h16-17H,1,6-14H2,2-5H3,(H,20,21);1H
InChIKeyARUQUWMQEYVJFG-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.72
Rot. Bonds8

About 3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen

3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen (PubChem CID 145466061) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen
PubChem CID145466061
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen
SMILESC=C(C)COCC(NC(=O)CCC1CCCCC1)C(C)(C)C.[H][H]
InChIInChI=1S/C19H35NO2.H2/c1-15(2)13-22-14-17(19(3,4)5)20-18(21)12-11-16-9-7-6-8-10-16;/h16-17H,1,6-14H2,2-5H3,(H,20,21);1H
InChIKeyARUQUWMQEYVJFG-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen?
The IUPAC name of 3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen (CID 145466061) is 3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen.
What is the SMILES notation for 3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen?
The canonical SMILES for 3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen is C=C(C)COCC(NC(=O)CCC1CCCCC1)C(C)(C)C.[H][H].
What is the InChIKey of 3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen?
The InChIKey is ARUQUWMQEYVJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2.H2/c1-15(2)13-22-14-17(19(3,4)5)20-18(21)12-11-16-9-7-6-8-10-16;/h16-17H,1,6-14H2,2-5H3,(H,20,21);1H.
What are the key properties of 3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen?
3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen has a molecular weight of 311.51 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen is sourced from PubChem (CID 145466061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).