(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

C38H50N2O8 — CID 18518210

IUPAC(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
SMILESCOc1cc(/C=C/C=C/C(=O)N(C)CC2CCC(CN(C)C(=O)/C=C/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C38H50N2O8/c1-39(35(41)15-11-9-13-29-21-31(43-3)37(47-7)32(22-29)44-4)25-27-17-19-28(20-18-27)26-40(2)36(42)16-12-10-14-30-23-33(45-5)38(48-8)34(24-30)46-6/h9-16,21-24,27-28H,17-20,25-26H2,1-8H3/b13-9+,14-10+,15-11+,16-12+
InChIKeyLFKTXIJRWPBYBQ-KUWVSJDVSA-N
MW662.82 g/mol
LogP6.30
Rot. Bonds16

About (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

(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 (PubChem CID 18518210) has the molecular formula C38H50N2O8 and a molecular weight of 662.82 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID18518210
Molecular FormulaC38H50N2O8
Molecular Weight662.82 g/mol
Exact Mass662.36
IUPAC Name(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
SMILESCOc1cc(/C=C/C=C/C(=O)N(C)CC2CCC(CN(C)C(=O)/C=C/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C38H50N2O8/c1-39(35(41)15-11-9-13-29-21-31(43-3)37(47-7)32(22-29)44-4)25-27-17-19-28(20-18-27)26-40(2)36(42)16-12-10-14-30-23-33(45-5)38(48-8)34(24-30)46-6/h9-16,21-24,27-28H,17-20,25-26H2,1-8H3/b13-9+,14-10+,15-11+,16-12+
InChIKeyLFKTXIJRWPBYBQ-KUWVSJDVSA-N
XLogP6.30
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.82
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoic acid
CID 15257506
5-(3,4,5-trimethoxyphenyl)-N-[2-[5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoylamino]cyclohexyl]penta-2,4-dienamide
CID 73448077
(E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 55564274
(2E,4E,6E)-1-piperidin-1-yl-7-(3,4,5-trimethoxyphenyl)hepta-2,4,6-trien-1-one
CID 118715509
(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
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
(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one
CID 5477763
(E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 7614597
(E)-N-methyl-N-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 13057060
(2E,4E)-1-[3-(aminomethyl)-4-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]piperazin-1-yl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one
CID 22609525
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(/C=C/C=C/C(=O)N(C)CC2CCC(CN(C)C(=O)/C=C/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC.
What is the InChIKey of (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?
The InChIKey is LFKTXIJRWPBYBQ-KUWVSJDVSA-N. The full InChI is InChI=1S/C38H50N2O8/c1-39(35(41)15-11-9-13-29-21-31(43-3)37(47-7)32(22-29)44-4)25-27-17-19-28(20-18-27)26-40(2)36(42)16-12-10-14-30-23-33(45-5)38(48-8)34(24-30)46-6/h9-16,21-24,27-28H,17-20,25-26H2,1-8H3/b13-9+,14-10+,15-11+,16-12+.
What are the key properties of (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?
(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 has a molecular weight of 662.82 g/mol, XLogP of 6.30, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 18518210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).