(2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide

C42H60N4O8 — CID 18518195

IUPAC(2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
SMILESCCN(CCCN1CCN(CCCN(CC)C(=O)/C=C/C=C/c2cc(OC)c(OC)c(OC)c2)CC1)C(=O)/C=C/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C42H60N4O8/c1-9-45(39(47)19-13-11-17-33-29-35(49-3)41(53-7)36(30-33)50-4)23-15-21-43-25-27-44(28-26-43)22-16-24-46(10-2)40(48)20-14-12-18-34-31-37(51-5)42(54-8)38(32-34)52-6/h11-14,17-20,29-32H,9-10,15-16,21-28H2,1-8H3/b17-11+,18-12+,19-13+,20-14+
InChIKeyFZCYMQBQXWVKDF-JHTXPFLLSA-N
MW748.96 g/mol
LogP5.67
Rot. Bonds22

About (2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide

(2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide (PubChem CID 18518195) has the molecular formula C42H60N4O8 and a molecular weight of 748.96 g/mol. Its IUPAC name is (2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
PubChem CID18518195
Molecular FormulaC42H60N4O8
Molecular Weight748.96 g/mol
Exact Mass748.44
IUPAC Name(2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
SMILESCCN(CCCN1CCN(CCCN(CC)C(=O)/C=C/C=C/c2cc(OC)c(OC)c(OC)c2)CC1)C(=O)/C=C/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C42H60N4O8/c1-9-45(39(47)19-13-11-17-33-29-35(49-3)41(53-7)36(30-33)50-4)23-15-21-43-25-27-44(28-26-43)22-16-24-46(10-2)40(48)20-14-12-18-34-31-37(51-5)42(54-8)38(32-34)52-6/h11-14,17-20,29-32H,9-10,15-16,21-28H2,1-8H3/b17-11+,18-12+,19-13+,20-14+
InChIKeyFZCYMQBQXWVKDF-JHTXPFLLSA-N
XLogP5.67
TPSA102.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.96
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide 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

(E)-6-[4-[(E)-4-oxo-6-(3,4,5-trimethoxyphenyl)hex-5-enyl]-1,4-diazepan-1-yl]-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
CID 71502335
N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 74346559
(E)-N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24891342
(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoic acid
CID 15257506
(2E,4E)-N-methyl-N-[[4-[[methyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]methyl]cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 18518210
N-(4-pyrrolidin-1-ylbutyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75355316
3-[4-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxypropyl]piperazin-1-yl]propyl 3,4,5-trimethoxybenzoate
CID 11570830
(2E,4E,6E)-1-piperidin-1-yl-7-(3,4,5-trimethoxyphenyl)hepta-2,4,6-trien-1-one
CID 118715509
(2E,4E)-5-(3,4,5-trimethoxyphenyl)-1-[4-[1-[4-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]piperazin-1-yl]propyl]piperazin-1-yl]penta-2,4-dien-1-one
CID 142647390
[4-[3-(diethylamino)-3-oxoprop-1-enyl]-2,6-dimethoxyphenyl] acetate
CID 123248209
3-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide
CID 70536818
N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride
CID 6445272

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide (CID 18518195) is (2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide is CCN(CCCN1CCN(CCCN(CC)C(=O)/C=C/C=C/c2cc(OC)c(OC)c(OC)c2)CC1)C(=O)/C=C/C=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide?
The InChIKey is FZCYMQBQXWVKDF-JHTXPFLLSA-N. The full InChI is InChI=1S/C42H60N4O8/c1-9-45(39(47)19-13-11-17-33-29-35(49-3)41(53-7)36(30-33)50-4)23-15-21-43-25-27-44(28-26-43)22-16-24-46(10-2)40(48)20-14-12-18-34-31-37(51-5)42(54-8)38(32-34)52-6/h11-14,17-20,29-32H,9-10,15-16,21-28H2,1-8H3/b17-11+,18-12+,19-13+,20-14+.
What are the key properties of (2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide?
(2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide has a molecular weight of 748.96 g/mol, XLogP of 5.67, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethyl-N-[3-[4-[3-[ethyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]propyl]piperazin-1-yl]propyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide is sourced from PubChem (CID 18518195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).