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Chemical ID: 6828405

Chemical ID:

6828405

Name [?]:

N-[1-(benzylideneaminocarbamoyl)-2-phenyl-ethyl]propanamide

SMILES [?]:

CCC(=O)NC(Cc1ccccc1)C(=O)NN=Cc2ccccc2

InChi [?]:

InChI=1/C19H21N3O2/c1-2-18(23)21-17(13-15-9-5-3-6-10-15)19(24)22-20-14-16-11-7-4-8-12-16/h3-12,14,17H,2,13H2,1H3,(H,21,23)(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,11,22,10,12,21,23,9,13,20,24,7,18,8,19,6,3,14,17,5,16,4,15/E:(5,6)(7,8)(9,10)(11,12)/rA:24cCCCONCCCCCCCCCONNCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s6;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁N₃O₂
All Atoms:	45
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	8.34114
Area:	534.57
Solvation:	-5.02312
Coulombic:	-39.9485

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	323.389
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.67
LogP (Chemaxon):	3.29

Name Annotations

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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