(2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide

C18H27N3O3 — CID 143325946

IUPAC(2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide
SMILESC=C/C=C\C(\C=C(/NC(C)=O)C(=O)NCCN1CCOCC1)=C/C
InChIInChI=1S/C18H27N3O3/c1-4-6-7-16(5-2)14-17(20-15(3)22)18(23)19-8-9-21-10-12-24-13-11-21/h4-7,14H,1,8-13H2,2-3H3,(H,19,23)(H,20,22)/b7-6-,16-5+,17-14-
InChIKeyOJUHAKDTXZQEGC-NDHHUQMASA-N
MW333.43 g/mol
LogP1.14
Rot. Bonds8

About (2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide

(2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide (PubChem CID 143325946) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide.

Molecular Properties

Compound Name(2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide
PubChem CID143325946
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide
SMILESC=C/C=C\C(\C=C(/NC(C)=O)C(=O)NCCN1CCOCC1)=C/C
InChIInChI=1S/C18H27N3O3/c1-4-6-7-16(5-2)14-17(20-15(3)22)18(23)19-8-9-21-10-12-24-13-11-21/h4-7,14H,1,8-13H2,2-3H3,(H,19,23)(H,20,22)/b7-6-,16-5+,17-14-
InChIKeyOJUHAKDTXZQEGC-NDHHUQMASA-N
XLogP1.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide?
The IUPAC name of (2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide (CID 143325946) is (2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide.
What is the SMILES notation for (2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide?
The canonical SMILES for (2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide is C=C/C=C\C(\C=C(/NC(C)=O)C(=O)NCCN1CCOCC1)=C/C.
What is the InChIKey of (2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide?
The InChIKey is OJUHAKDTXZQEGC-NDHHUQMASA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-6-7-16(5-2)14-17(20-15(3)22)18(23)19-8-9-21-10-12-24-13-11-21/h4-7,14H,1,8-13H2,2-3H3,(H,19,23)(H,20,22)/b7-6-,16-5+,17-14-.
What are the key properties of (2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide?
(2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide has a molecular weight of 333.43 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,5Z)-2-acetamido-4-ethylidene-N-(2-morpholin-4-ylethyl)octa-2,5,7-trienamide is sourced from PubChem (CID 143325946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).