N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate

C106H148N8O17Si3 — CID 91466314

IUPACN,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate
SMILESC(=C/c1ccccc1)\CNCNC/C=C/c1ccccc1.C[Si](C)(CCCOCC(O)COC/C=C/c1ccccc1)O[Si](C)(C)O[Si](C)(C)CCCOCC(O)COC/C=C/c1ccccc1.O=C(NCCCCCCn1c(=O)n(CCCCCCNC(=O)OC/C=C/c2ccccc2)c(=O)n(CCCCCCNC(=O)OC/C=C/c2ccccc2)c1=O)OC/C=C/c1ccccc1
InChIInChI=1S/C51H66N6O9.C36H60O8Si3.C19H22N2/c58-46(64-40-22-31-43-25-10-7-11-26-43)52-34-16-1-4-19-37-55-49(61)56(38-20-5-2-17-35-53-47(59)65-41-23-32-44-27-12-8-13-28-44)51(63)57(50(55)62)39-21-6-3-18-36-54-48(60)66-42-24-33-45-29-14-9-15-30-45;1-45(2,27-15-25-41-31-35(37)29-39-23-13-21-33-17-9-7-10-18-33)43-47(5,6)44-46(3,4)28-16-26-42-32-36(38)30-40-24-14-22-34-19-11-8-12-20-34;1-3-9-18(10-4-1)13-7-15-20-17-21-16-8-14-19-11-5-2-6-12-19/h7-15,22-33H,1-6,16-21,34-42H2,(H,52,58)(H,53,59)(H,54,60);7-14,17-22,35-38H,15-16,23-32H2,1-6H3;1-14,20-21H,15-17H2/b31-22+,32-23+,33-24+;21-13+,22-14+;13-7+,14-8+
InChIKeyPSTIKSSTHLEQLD-BZFKPQKISA-N
MW1890.65 g/mol
LogP18.85
Rot. Bonds64

About N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate

N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate (PubChem CID 91466314) has the molecular formula C106H148N8O17Si3 and a molecular weight of 1890.65 g/mol. Its IUPAC name is N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate.

Molecular Properties

Compound NameN,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate
PubChem CID91466314
Molecular FormulaC106H148N8O17Si3
Molecular Weight1890.65 g/mol
Exact Mass1889.03
IUPAC NameN,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate
SMILESC(=C/c1ccccc1)\CNCNC/C=C/c1ccccc1.C[Si](C)(CCCOCC(O)COC/C=C/c1ccccc1)O[Si](C)(C)O[Si](C)(C)CCCOCC(O)COC/C=C/c1ccccc1.O=C(NCCCCCCn1c(=O)n(CCCCCCNC(=O)OC/C=C/c2ccccc2)c(=O)n(CCCCCCNC(=O)OC/C=C/c2ccccc2)c1=O)OC/C=C/c1ccccc1
InChIInChI=1S/C51H66N6O9.C36H60O8Si3.C19H22N2/c58-46(64-40-22-31-43-25-10-7-11-26-43)52-34-16-1-4-19-37-55-49(61)56(38-20-5-2-17-35-53-47(59)65-41-23-32-44-27-12-8-13-28-44)51(63)57(50(55)62)39-21-6-3-18-36-54-48(60)66-42-24-33-45-29-14-9-15-30-45;1-45(2,27-15-25-41-31-35(37)29-39-23-13-21-33-17-9-7-10-18-33)43-47(5,6)44-46(3,4)28-16-26-42-32-36(38)30-40-24-14-22-34-19-11-8-12-20-34;1-3-9-18(10-4-1)13-7-15-20-17-21-16-8-14-19-11-5-2-6-12-19/h7-15,22-33H,1-6,16-21,34-42H2,(H,52,58)(H,53,59)(H,54,60);7-14,17-22,35-38H,15-16,23-32H2,1-6H3;1-14,20-21H,15-17H2/b31-22+,32-23+,33-24+;21-13+,22-14+;13-7+,14-8+
InChIKeyPSTIKSSTHLEQLD-BZFKPQKISA-N
XLogP18.85
TPSA300.89 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds64
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001890.65
LogP ≤ 518.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate 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

bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-dimethylsilane;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enyl]sulfanylpropoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enyl]sulfanylpropan-2-ol;(E)-3-phenylprop-2-ene-1-thiol
CID 158222270
[(E)-3-phenylprop-2-enyl] 4-(2,5-dioxopyrrol-1-yl)benzoate;[(E)-3-phenylprop-2-enyl] N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate
CID 160673849
(E)-7-[[dimethyl-[(E)-5-oxo-7-phenylhept-6-enyl]silyl]oxy-dimethylsilyl]-1-phenylhept-1-en-3-one;[dimethyl-[3-[(E)-3-phenylprop-2-enoxy]propyl]silyl]oxy-[[[[dimethyl-[3-[(E)-3-phenylprop-2-enoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane;[(E)-3-[[4-[[(E)-3-phenylprop-2-enoxy]methyl]cyclohexyl]methoxy]prop-1-enyl]benzene
CID 157385540
N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 76943814
N-ethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 76943842
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619
N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide
CID 76676980
1-(3-phenylprop-2-enoxy)propan-2-ol
CID 70377991
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol
CID 12797749
N'-(3-phenylprop-2-enyl)pentane-1,5-diamine
CID 175973371
3-butoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine;hydrochloride
CID 17206554

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate?
The IUPAC name of N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate (CID 91466314) is N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate.
What is the SMILES notation for N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate?
The canonical SMILES for N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate is C(=C/c1ccccc1)\CNCNC/C=C/c1ccccc1.C[Si](C)(CCCOCC(O)COC/C=C/c1ccccc1)O[Si](C)(C)O[Si](C)(C)CCCOCC(O)COC/C=C/c1ccccc1.O=C(NCCCCCCn1c(=O)n(CCCCCCNC(=O)OC/C=C/c2ccccc2)c(=O)n(CCCCCCNC(=O)OC/C=C/c2ccccc2)c1=O)OC/C=C/c1ccccc1.
What is the InChIKey of N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate?
The InChIKey is PSTIKSSTHLEQLD-BZFKPQKISA-N. The full InChI is InChI=1S/C51H66N6O9.C36H60O8Si3.C19H22N2/c58-46(64-40-22-31-43-25-10-7-11-26-43)52-34-16-1-4-19-37-55-49(61)56(38-20-5-2-17-35-53-47(59)65-41-23-32-44-27-12-8-13-28-44)51(63)57(50(55)62)39-21-6-3-18-36-54-48(60)66-42-24-33-45-29-14-9-15-30-45;1-45(2,27-15-25-41-31-35(37)29-39-23-13-21-33-17-9-7-10-18-33)43-47(5,6)44-46(3,4)28-16-26-42-32-36(38)30-40-24-14-22-34-19-11-8-12-20-34;1-3-9-18(10-4-1)13-7-15-20-17-21-16-8-14-19-11-5-2-6-12-19/h7-15,22-33H,1-6,16-21,34-42H2,(H,52,58)(H,53,59)(H,54,60);7-14,17-22,35-38H,15-16,23-32H2,1-6H3;1-14,20-21H,15-17H2/b31-22+,32-23+,33-24+;21-13+,22-14+;13-7+,14-8+.
What are the key properties of N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate?
N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate has a molecular weight of 1890.65 g/mol, XLogP of 18.85, 64 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-3-phenylprop-2-enyl]methanediamine;1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enoxy]propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol;[(E)-3-phenylprop-2-enyl] N-[6-[2,4,6-trioxo-3,5-bis[6-[[(E)-3-phenylprop-2-enoxy]carbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexyl]carbamate is sourced from PubChem (CID 91466314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).