Chemical ID: 5976413

CCCCC(=O)Nc1ccc(c(c1)C(=O)NCCOC)N(C)C
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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