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Chemical ID: 5976413
Chemical ID:
5976413
Name [?]:
2-dimethylamino-N-(2-methoxyethyl)-5-pentanoylamino-benzamide
SMILES [?]:
CCCCC(=O)Nc1ccc(c(c1)C(=O)NCCOC)N(C)C
InChi [?]:
InChI=1/C17H27N3O3/c1-5-6-7-16(21)19-13-8-9-15(20(2)3)14(12-13)17(22)18-10-11-23-4/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,22)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,23,20,2,3,4,9,10,17,18,13,8,12,11,5,14,16,7,21,6,15,19/E:(2,3)/rA:23nCCCCCONCCCCCCCONCCOCNCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;d14;s14;s16;s17;s18;s19;s11;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27N3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8293 |
Area: | 572.497 |
Solvation: | -5.48311 |
Coulombic: | -53.9289 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 321.415 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.09 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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