N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide

C13H20N2O2 — CID 90875722

IUPACN-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide
SMILESCC1C=CC(NC(=O)CN2CCOCC2)=CC1
InChIInChI=1S/C13H20N2O2/c1-11-2-4-12(5-3-11)14-13(16)10-15-6-8-17-9-7-15/h2,4-5,11H,3,6-10H2,1H3,(H,14,16)
InChIKeyHBAOTLJQBUMFAU-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.91
Rot. Bonds3

About N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide

N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide (PubChem CID 90875722) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide
PubChem CID90875722
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide
SMILESCC1C=CC(NC(=O)CN2CCOCC2)=CC1
InChIInChI=1S/C13H20N2O2/c1-11-2-4-12(5-3-11)14-13(16)10-15-6-8-17-9-7-15/h2,4-5,11H,3,6-10H2,1H3,(H,14,16)
InChIKeyHBAOTLJQBUMFAU-UHFFFAOYSA-N
XLogP0.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide (CID 90875722) is N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide is CC1C=CC(NC(=O)CN2CCOCC2)=CC1.
What is the InChIKey of N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide?
The InChIKey is HBAOTLJQBUMFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-2-4-12(5-3-11)14-13(16)10-15-6-8-17-9-7-15/h2,4-5,11H,3,6-10H2,1H3,(H,14,16).
What are the key properties of N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide?
N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide has a molecular weight of 236.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 90875722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).