Chemical ID: 7249155

COc1cc(ccc1OCc2ccccc2)C(NC(=O)C=C)NC(=O)C=C
Chemical ID:
7249155
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)-prop-2-enoylamino-methyl]prop-2-enamide
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)C(NC(=O)C=C)NC(=O)C=C
InChi [?]:
InChI=1/C21H22N2O4/c1-4-19(24)22-21(23-20(25)5-2)16-11-12-17(18(13-16)26-3)27-14-15-9-7-6-8-10-15/h4-13,21H,1-2,14H2,3H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:22,27,1,21,26,14,13,15,12,16,6,7,4,10,11,5,8,3,19,24,17,18,23,20,25,2,9/E:(1,2)(4,5)(7,8)(9,10)(19,20)(22,23)(24,25)/gE:(1,2)/rA:27nCOCCCCCCOCCCCCCCCNCOCCNCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;s17;s18;d19;s19;d21;s17;s23;d24;s24;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O4
All Atoms:49
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.29205
Area:619.236
Solvation:-7.18884
Coulombic:-59.515
Bond Count [?]
All:28
Single:18
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:366.41
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.02
LogP (Chemaxon):3.14

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Descriptor Annotations

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