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Chemical ID: 6876281
Chemical ID:
6876281
Name [?]:
4-[1-(aminocarbamoyl)ethoxy]-N-(2-ethylphenyl)-benzamide
SMILES [?]:
CCc1ccccc1NC(=O)c2ccc(cc2)OC(C)C(=O)NN
InChi [?]:
InChI=1/C18H21N3O3/c1-3-13-6-4-5-7-16(13)20-18(23)14-8-10-15(11-9-14)24-12(2)17(22)21-19/h4-12H,3,19H2,1-2H3,(H,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,2,5,6,4,7,13,17,14,16,19,3,12,15,8,21,10,24,9,23,22,11,18/E:(8,9)(10,11)/rA:24cCCCCCCCCNCOCCCCCCOCCCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O3 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.50279 |
Area: | 553.15 |
Solvation: | -5.32596 |
Coulombic: | -57.1592 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.378 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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