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Chemical ID: 5976421
Chemical ID:
5976421
Name [?]:
2-dimethylamino-5-hexanoylamino-N-(2-methoxyethyl)benzamide
SMILES [?]:
CCCCCC(=O)Nc1ccc(c(c1)C(=O)NCCOC)N(C)C
InChi [?]:
InChI=1/C18H29N3O3/c1-5-6-7-8-17(22)20-14-9-10-16(21(2)3)15(13-14)18(23)19-11-12-24-4/h9-10,13H,5-8,11-12H2,1-4H3,(H,19,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,24,21,2,3,4,5,10,11,18,19,14,9,13,12,6,15,17,8,22,7,16,20/E:(2,3)/rA:24nCCCCCCONCCCCCCCONCCOCNCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;s20;s12;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53413 |
Area: | 601.094 |
Solvation: | -5.49321 |
Coulombic: | -54.2317 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 335.441 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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