N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen

C15H22N2O3 — CID 143483668

IUPACN-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen
SMILESCCNC(=O)C1=CC(C(=O)N2CCOCC2)=CCC=C1.[H][H]
InChIInChI=1S/C15H20N2O3.H2/c1-2-16-14(18)12-5-3-4-6-13(11-12)15(19)17-7-9-20-10-8-17;/h3,5-6,11H,2,4,7-10H2,1H3,(H,16,18);1H
InChIKeyBPQFPHMUVCKVLA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.04
Rot. Bonds3

About N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen

N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen (PubChem CID 143483668) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen
PubChem CID143483668
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen
SMILESCCNC(=O)C1=CC(C(=O)N2CCOCC2)=CCC=C1.[H][H]
InChIInChI=1S/C15H20N2O3.H2/c1-2-16-14(18)12-5-3-4-6-13(11-12)15(19)17-7-9-20-10-8-17;/h3,5-6,11H,2,4,7-10H2,1H3,(H,16,18);1H
InChIKeyBPQFPHMUVCKVLA-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen?
The IUPAC name of N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen (CID 143483668) is N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen is CCNC(=O)C1=CC(C(=O)N2CCOCC2)=CCC=C1.[H][H].
What is the InChIKey of N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen?
The InChIKey is BPQFPHMUVCKVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.H2/c1-2-16-14(18)12-5-3-4-6-13(11-12)15(19)17-7-9-20-10-8-17;/h3,5-6,11H,2,4,7-10H2,1H3,(H,16,18);1H.
What are the key properties of N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen?
N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen has a molecular weight of 278.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(morpholine-4-carbonyl)cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 143483668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).