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Chemical ID: 6441238
Chemical ID:
6441238
Name [?]:
2-amino-N-[4-(2-aminobenzoyl)aminobutyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCCCCNC(=O)c2ccccc2N)N
InChi [?]:
InChI=1/C18H22N4O2/c19-15-9-3-1-7-13(15)17(23)21-11-5-6-12-22-18(24)14-8-2-4-10-16(14)20/h1-4,7-10H,5-6,11-12,19-20H2,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,19,2,20,11,12,6,18,3,21,10,13,5,17,4,22,7,15,24,23,9,14,8,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)/rA:24nCCCCCCCONCCCCNCOCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N4O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1563 |
Area: | 575.041 |
Solvation: | -3.21972 |
Coulombic: | -78.4028 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 326.393 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 6 |
XLogP: | 2.58 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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