(2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine

C25H33NO3 — CID 101029005

IUPAC(2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine
SMILESCCO/C(=C/C=C/C(c1ccc(OC)cc1)N(CC)CC)c1ccc(OC)cc1
InChIInChI=1S/C25H33NO3/c1-6-26(7-2)24(20-12-16-22(27-4)17-13-20)10-9-11-25(29-8-3)21-14-18-23(28-5)19-15-21/h9-19,24H,6-8H2,1-5H3/b10-9+,25-11+
InChIKeyGYNCLEZJMSTOBR-GSNDKAMVSA-N
MW395.54 g/mol
LogP5.72
Rot. Bonds11

About (2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine

(2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine (PubChem CID 101029005) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is (2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine
PubChem CID101029005
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Name(2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine
SMILESCCO/C(=C/C=C/C(c1ccc(OC)cc1)N(CC)CC)c1ccc(OC)cc1
InChIInChI=1S/C25H33NO3/c1-6-26(7-2)24(20-12-16-22(27-4)17-13-20)10-9-11-25(29-8-3)21-14-18-23(28-5)19-15-21/h9-19,24H,6-8H2,1-5H3/b10-9+,25-11+
InChIKeyGYNCLEZJMSTOBR-GSNDKAMVSA-N
XLogP5.72
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.54
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene
CID 12531526
(1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine
CID 102371704
[7-ethoxy-1,7-bis(4-methoxyphenyl)hepta-2,4,6-trienylidene]-diethylazanium tetrafluoroborate
CID 131737664
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 86017823
2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride
CID 54601247
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene
CID 164676362

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine (CID 101029005) is (2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine is CCO/C(=C/C=C/C(c1ccc(OC)cc1)N(CC)CC)c1ccc(OC)cc1.
What is the InChIKey of (2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine?
The InChIKey is GYNCLEZJMSTOBR-GSNDKAMVSA-N. The full InChI is InChI=1S/C25H33NO3/c1-6-26(7-2)24(20-12-16-22(27-4)17-13-20)10-9-11-25(29-8-3)21-14-18-23(28-5)19-15-21/h9-19,24H,6-8H2,1-5H3/b10-9+,25-11+.
What are the key properties of (2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine?
(2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine has a molecular weight of 395.54 g/mol, XLogP of 5.72, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 101029005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).