(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide

C18H22N2O4 — CID 101018068

IUPAC(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccc2c(c1)OCO2)NCCN1CCOCC1
InChIInChI=1S/C18H22N2O4/c21-18(19-7-8-20-9-11-22-12-10-20)4-2-1-3-15-5-6-16-17(13-15)24-14-23-16/h1-6,13H,7-12,14H2,(H,19,21)/b3-1+,4-2+
InChIKeyDYUMOYZMKWECDY-ZPUQHVIOSA-N
MW330.38 g/mol
LogP1.43
Rot. Bonds6

About (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide

(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide (PubChem CID 101018068) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide
PubChem CID101018068
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccc2c(c1)OCO2)NCCN1CCOCC1
InChIInChI=1S/C18H22N2O4/c21-18(19-7-8-20-9-11-22-12-10-20)4-2-1-3-15-5-6-16-17(13-15)24-14-23-16/h1-6,13H,7-12,14H2,(H,19,21)/b3-1+,4-2+
InChIKeyDYUMOYZMKWECDY-ZPUQHVIOSA-N
XLogP1.43
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842683
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)penta-2,4-dienamide
CID 87135324
(2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide
CID 10270426
(E)-3-(1,3-benzodioxol-5-yl)-N-[8-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]octyl]prop-2-enamide
CID 6306583
5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide
CID 87362285
1-(1,3-benzodioxol-5-yl)-7-[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123241646
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethylamino]ethyl]prop-2-enamide;hydrate;hydrochloride
CID 70245016
4-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]-N-ethylpiperazine-1-carboxamide
CID 178072272
(2S)-2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
CID 95312949
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide
CID 99970851
N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 90497880
N-[2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629544

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide (CID 101018068) is (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide is O=C(/C=C/C=C/c1ccc2c(c1)OCO2)NCCN1CCOCC1.
What is the InChIKey of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide?
The InChIKey is DYUMOYZMKWECDY-ZPUQHVIOSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-18(19-7-8-20-9-11-22-12-10-20)4-2-1-3-15-5-6-16-17(13-15)24-14-23-16/h1-6,13H,7-12,14H2,(H,19,21)/b3-1+,4-2+.
What are the key properties of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide?
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide has a molecular weight of 330.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide is sourced from PubChem (CID 101018068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).