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Chemical ID: 6014414

COCCN(CC(=O)N(Cc1ccccc1)Cc2ccco2)C(=O)C=Cc3ccccc3

Chemical ID:

6014414

Name [?]:

N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-N-(2-methoxyethyl)-3-phenyl-prop-2-enamide

SMILES [?]:

COCCN(CC(=O)N(Cc1ccccc1)Cc2ccco2)C(=O)C=Cc3ccccc3

InChi [?]:

InChI=1/C26H28N2O4/c1-31-18-16-27(25(29)15-14-22-9-4-2-5-10-22)21-26(30)28(20-24-13-8-17-32-24)19-23-11-6-3-7-12-23/h2-15,17H,16,18-21H2,1H3

InChi Info:

AuxInfo=1/0/N:1,30,14,29,31,13,15,20,28,32,12,16,19,26,25,4,21,3,10,17,6,27,11,18,23,7,5,9,24,8,2,22/E:(4,5)(6,7)(9,10)(11,12)/rA:32nCOCCNCCONCCCCCCCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s5;d23;s23;w25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2192
Area:	652.045
Solvation:	-6.08191
Coulombic:	-50.2806

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	13
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	432.512
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.08
LogP (Chemaxon):	3.29

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value