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Chemical ID: 5909108

CCC(C)N(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)C=Cc3ccccc3

Chemical ID:

5909108

Name [?]:

N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-3-phenyl-N-sec-butyl-prop-2-enamide

SMILES [?]:

CCC(C)N(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)C=Cc3ccccc3

InChi [?]:

InChI=1/C28H32N2O3/c1-3-23(2)30(27(31)17-16-24-11-6-4-7-12-24)22-28(32)29(21-26-15-10-20-33-26)19-18-25-13-8-5-9-14-25/h4-17,20,23H,3,18-19,21-22H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,4,2,31,15,30,32,14,16,21,29,33,13,17,20,27,26,11,10,22,18,6,3,28,12,19,24,7,9,5,25,8,23/E:(6,7)(8,9)(11,12)(13,14)/rA:33cCCCCNCCONCCCCCCCCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;w26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₂N₂O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.7465
Area:	690.235
Solvation:	-4.50939
Coulombic:	-43.5834

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	13
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	444.565
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.67
LogP (Chemaxon):	4.93

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

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

Chemical Mix	Source	External ID	Descriptor	Value