N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide

C15H24N2O3 — CID 89215083

IUPACN-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide
SMILESC=C/C(=C\CC(C)C(=O)N1CC(C)OC(C)C1)NC=O
InChIInChI=1S/C15H24N2O3/c1-5-14(16-10-18)7-6-11(2)15(19)17-8-12(3)20-13(4)9-17/h5,7,10-13H,1,6,8-9H2,2-4H3,(H,16,18)/b14-7+
InChIKeyQRMAZEHQDNGFCH-VGOFMYFVSA-N
MW280.37 g/mol
LogP1.46
Rot. Bonds6

About N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide

N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide (PubChem CID 89215083) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide.

Molecular Properties

Compound NameN-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide
PubChem CID89215083
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide
SMILESC=C/C(=C\CC(C)C(=O)N1CC(C)OC(C)C1)NC=O
InChIInChI=1S/C15H24N2O3/c1-5-14(16-10-18)7-6-11(2)15(19)17-8-12(3)20-13(4)9-17/h5,7,10-13H,1,6,8-9H2,2-4H3,(H,16,18)/b14-7+
InChIKeyQRMAZEHQDNGFCH-VGOFMYFVSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide?
The IUPAC name of N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide (CID 89215083) is N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide.
What is the SMILES notation for N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide?
The canonical SMILES for N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide is C=C/C(=C\CC(C)C(=O)N1CC(C)OC(C)C1)NC=O.
What is the InChIKey of N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide?
The InChIKey is QRMAZEHQDNGFCH-VGOFMYFVSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-14(16-10-18)7-6-11(2)15(19)17-8-12(3)20-13(4)9-17/h5,7,10-13H,1,6,8-9H2,2-4H3,(H,16,18)/b14-7+.
What are the key properties of N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide?
N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide has a molecular weight of 280.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide is sourced from PubChem (CID 89215083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).