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Chemical ID: 5589998

Chemical ID:

5589998

Name [?]:

N-[1-[(4-methoxyphenyl)methyleneaminocarbamoyl]ethyl]benzamide

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OC)NC(=O)c2ccccc2

InChi [?]:

InChI=1/C18H19N3O3/c1-13(20-18(23)15-6-4-3-5-7-15)17(22)21-19-12-14-8-10-16(24-2)11-9-14/h3-13H,1-2H3,(H,20,23)(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,15,22,21,23,20,24,9,13,10,12,7,2,8,19,11,3,17,6,16,5,4,18,14/E:(4,5)(6,7)(8,9)(10,11)/rA:24cCCCONNCCCCCCCOCNCOCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s2;s16;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉N₃O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	8.87398
Area:	555.872
Solvation:	-5.02283
Coulombic:	-49.0713

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	325.362
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.61
LogP (Chemaxon):	2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value