Chemical ID: 5859792

CC(C)C(C(=O)NN=Cc1ccccc1OCC#C)NC(=O)c2ccccc2
Chemical ID:
5859792
Name [?]:
N-[2-methyl-1-[(2-prop-2-ynoxyphenyl)methyleneaminocarbamoyl]propyl]benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccccc1OCC#C)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C22H23N3O3/c1-4-14-28-19-13-9-8-12-18(19)15-23-25-22(27)20(16(2)3)24-21(26)17-10-6-5-7-11-17/h1,5-13,15-16,20H,14H2,2-3H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:19,1,3,18,26,25,27,12,13,24,28,11,14,17,9,2,23,10,15,4,21,5,8,20,7,22,6,16/E:(2,3)(6,7)(10,11)/rA:28cCCCCCONNCCCCCCCOCCCNCOCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;t18;s4;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.9522
Area:635.612
Solvation:-4.93809
Coulombic:-53.1779
Bond Count [?]
All:29
Single:19
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:377.436
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.53
LogP (Chemaxon):3.6

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Descriptor Annotations

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