Chemical ID: 5811173

CCC(C)(C#C)NC(=O)c1cc(c(c(c1)OC)OC)OC
Chemical ID:
5811173
Name [?]:
N-(1-ethyl-1-methyl-prop-2-ynyl)-3,4,5-trimethoxy-benzamide
SMILES [?]:
CCC(C)(C#C)NC(=O)c1cc(c(c(c1)OC)OC)OC
InChi [?]:
InChI=1/C16H21NO4/c1-7-16(3,8-2)17-15(18)11-9-12(19-4)14(21-6)13(10-11)20-5/h1,9-10H,8H2,2-6H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:6,1,4,17,21,19,5,2,15,11,10,14,12,13,8,3,7,9,16,20,18/E:(4,5)(9,10)(12,13)(19,20)/rA:21cCCCCCCNCOCCCCCCOCOCOC/rB:s1;s2;s3;s3;t5;s3;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s12;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:6.05683
Area:499.294
Solvation:-6.42551
Coulombic:-44.7781
Bond Count [?]
All:21
Single:16
Double:4
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:291.342
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.03
LogP (Chemaxon):1.42

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Descriptor Annotations

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