N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid)

C26H36N4O6 — CID 24846144

IUPACN'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid)
SMILESCC(O)C(=O)O.CC(O)C(=O)O.CC/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/CC)cc2)cc1
InChIInChI=1S/C20H24N4.2C3H6O3/c1-3-23-19(21)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20(22)24-4-2;2*1-2(4)3(5)6/h5-14H,3-4H2,1-2H3,(H2,21,23)(H2,22,24);2*2,4H,1H3,(H,5,6)/b6-5-;;
InChIKeyDTHXLLUPABPCNJ-XNOMRPDFSA-N
MW500.60 g/mol
LogP2.21
Rot. Bonds8

About N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid)

N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid) (PubChem CID 24846144) has the molecular formula C26H36N4O6 and a molecular weight of 500.60 g/mol. Its IUPAC name is N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid).

Molecular Properties

Compound NameN'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid)
PubChem CID24846144
Molecular FormulaC26H36N4O6
Molecular Weight500.60 g/mol
Exact Mass500.26
IUPAC NameN'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid)
SMILESCC(O)C(=O)O.CC(O)C(=O)O.CC/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/CC)cc2)cc1
InChIInChI=1S/C20H24N4.2C3H6O3/c1-3-23-19(21)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20(22)24-4-2;2*1-2(4)3(5)6/h5-14H,3-4H2,1-2H3,(H2,21,23)(H2,22,24);2*2,4H,1H3,(H,5,6)/b6-5-;;
InChIKeyDTHXLLUPABPCNJ-XNOMRPDFSA-N
XLogP2.21
TPSA191.82 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 52.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid) 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

4-[[(E)-3-(4-carbamoylphenyl)prop-2-enoyl]amino]-2-hydroxybutanoic acid
CID 107831861
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide
CID 57029880
4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide
CID 111595447
(2S)-2-[[(E)-3-(4-carbamoylphenyl)prop-2-enoyl]amino]pentanoic acid
CID 107563899
ethyl 4-(4-hydroxypent-1-enyl)benzoate
CID 68918809
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
4-(1-hydroxypropyl)benzamide
CID 118219631
4-[(N'-ethylcarbamimidoyl)amino]benzamide
CID 62380720
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
ethyl carbamate;stilbene
CID 175156091
ethyl acetate;stilbene
CID 159556390

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid)?
The IUPAC name of N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid) (CID 24846144) is N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid).
What is the SMILES notation for N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid)?
The canonical SMILES for N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid) is CC(O)C(=O)O.CC(O)C(=O)O.CC/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/CC)cc2)cc1.
What is the InChIKey of N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid)?
The InChIKey is DTHXLLUPABPCNJ-XNOMRPDFSA-N. The full InChI is InChI=1S/C20H24N4.2C3H6O3/c1-3-23-19(21)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20(22)24-4-2;2*1-2(4)3(5)6/h5-14H,3-4H2,1-2H3,(H2,21,23)(H2,22,24);2*2,4H,1H3,(H,5,6)/b6-5-;;.
What are the key properties of N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid)?
N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid) has a molecular weight of 500.60 g/mol, XLogP of 2.21, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-[(Z)-2-[4-(N'-ethylcarbamimidoyl)phenyl]ethenyl]benzenecarboximidamide;bis(2-hydroxypropanoic acid) is sourced from PubChem (CID 24846144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).