(4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one

C26H46N2O2 — CID 144783257

IUPAC(4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one
SMILESC=C/C=C(\C=C/CC)CC(CC)(C(=O)/C(C)=C/CC(C)N(CC)CCOC)N(C)C
InChIInChI=1S/C26H46N2O2/c1-10-14-16-24(15-11-2)21-26(12-3,27(7)8)25(29)22(5)17-18-23(6)28(13-4)19-20-30-9/h11,14-17,23H,2,10,12-13,18-21H2,1,3-9H3/b16-14-,22-17+,24-15+
InChIKeyNLJFKOQLDDYOLW-PDWYCMGZSA-N
MW418.67 g/mol
LogP5.43
Rot. Bonds16

About (4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one

(4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one (PubChem CID 144783257) has the molecular formula C26H46N2O2 and a molecular weight of 418.67 g/mol. Its IUPAC name is (4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one.

Molecular Properties

Compound Name(4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one
PubChem CID144783257
Molecular FormulaC26H46N2O2
Molecular Weight418.67 g/mol
Exact Mass418.36
IUPAC Name(4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one
SMILESC=C/C=C(\C=C/CC)CC(CC)(C(=O)/C(C)=C/CC(C)N(CC)CCOC)N(C)C
InChIInChI=1S/C26H46N2O2/c1-10-14-16-24(15-11-2)21-26(12-3,27(7)8)25(29)22(5)17-18-23(6)28(13-4)19-20-30-9/h11,14-17,23H,2,10,12-13,18-21H2,1,3-9H3/b16-14-,22-17+,24-15+
InChIKeyNLJFKOQLDDYOLW-PDWYCMGZSA-N
XLogP5.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one
CID 123894417
6-[2-methoxyethyl(methyl)amino]-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[2-methoxyethyl(methyl)amino]-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
CID 146341517
(5Z,7Z)-2-(dimethylamino)-2-ethyl-1-[(1E,3E)-4-morpholin-4-ylcycloocta-1,3,6-trien-1-yl]undeca-5,7-dien-1-one
CID 155275652

Frequently Asked Questions

What is the IUPAC name of (4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one?
The IUPAC name of (4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one (CID 144783257) is (4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one.
What is the SMILES notation for (4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one?
The canonical SMILES for (4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one is C=C/C=C(\C=C/CC)CC(CC)(C(=O)/C(C)=C/CC(C)N(CC)CCOC)N(C)C.
What is the InChIKey of (4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one?
The InChIKey is NLJFKOQLDDYOLW-PDWYCMGZSA-N. The full InChI is InChI=1S/C26H46N2O2/c1-10-14-16-24(15-11-2)21-26(12-3,27(7)8)25(29)22(5)17-18-23(6)28(13-4)19-20-30-9/h11,14-17,23H,2,10,12-13,18-21H2,1,3-9H3/b16-14-,22-17+,24-15+.
What are the key properties of (4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one?
(4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one has a molecular weight of 418.67 g/mol, XLogP of 5.43, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one is sourced from PubChem (CID 144783257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).