ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide

C17H30N2O2 — CID 143510897

IUPACethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC.CC1=CCCC(C(=O)NCCCN2CCOCC2)=C1
InChIInChI=1S/C15H24N2O2.C2H6/c1-13-4-2-5-14(12-13)15(18)16-6-3-7-17-8-10-19-11-9-17;1-2/h4,12H,2-3,5-11H2,1H3,(H,16,18);1-2H3
InChIKeyWOQBHBDXVCPEQX-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.52
Rot. Bonds5

About ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide

ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 143510897) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Nameethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID143510897
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC.CC1=CCCC(C(=O)NCCCN2CCOCC2)=C1
InChIInChI=1S/C15H24N2O2.C2H6/c1-13-4-2-5-14(12-13)15(18)16-6-3-7-17-8-10-19-11-9-17;1-2/h4,12H,2-3,5-11H2,1H3,(H,16,18);1-2H3
InChIKeyWOQBHBDXVCPEQX-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide (CID 143510897) is ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide is CC.CC1=CCCC(C(=O)NCCCN2CCOCC2)=C1.
What is the InChIKey of ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is WOQBHBDXVCPEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.C2H6/c1-13-4-2-5-14(12-13)15(18)16-6-3-7-17-8-10-19-11-9-17;1-2/h4,12H,2-3,5-11H2,1H3,(H,16,18);1-2H3.
What are the key properties of ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide?
ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 143510897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).