N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide

C14H22N2O2 — CID 89214740

IUPACN-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide
SMILESC=C/C(=C\C=C/CN1CC(C)OC(C)C1)NC=O
InChIInChI=1S/C14H22N2O2/c1-4-14(15-11-17)7-5-6-8-16-9-12(2)18-13(3)10-16/h4-7,11-13H,1,8-10H2,2-3H3,(H,15,17)/b6-5-,14-7+
InChIKeyMHJUYTFYBJHTJS-NTBKVEBNSA-N
MW250.34 g/mol
LogP1.47
Rot. Bonds6

About N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide

N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide (PubChem CID 89214740) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide.

Molecular Properties

Compound NameN-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide
PubChem CID89214740
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide
SMILESC=C/C(=C\C=C/CN1CC(C)OC(C)C1)NC=O
InChIInChI=1S/C14H22N2O2/c1-4-14(15-11-17)7-5-6-8-16-9-12(2)18-13(3)10-16/h4-7,11-13H,1,8-10H2,2-3H3,(H,15,17)/b6-5-,14-7+
InChIKeyMHJUYTFYBJHTJS-NTBKVEBNSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.47
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,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide?
The IUPAC name of N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide (CID 89214740) is N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide.
What is the SMILES notation for N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide?
The canonical SMILES for N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide is C=C/C(=C\C=C/CN1CC(C)OC(C)C1)NC=O.
What is the InChIKey of N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide?
The InChIKey is MHJUYTFYBJHTJS-NTBKVEBNSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(15-11-17)7-5-6-8-16-9-12(2)18-13(3)10-16/h4-7,11-13H,1,8-10H2,2-3H3,(H,15,17)/b6-5-,14-7+.
What are the key properties of N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide?
N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide has a molecular weight of 250.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-yl]formamide is sourced from PubChem (CID 89214740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).