Chemical ID: 7027638

c1cc(ccc1C(=O)NCCCCNC(=O)c2ccc(cc2)N)N
Chemical ID:
7027638
Name [?]:
4-amino-N-[4-(4-aminobenzoyl)aminobutyl]benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCCCCNC(=O)c2ccc(cc2)N)N
InChi [?]:
InChI=1/C18H22N4O2/c19-15-7-3-13(4-8-15)17(23)21-11-1-2-12-22-18(24)14-5-9-16(20)10-6-14/h3-10H,1-2,11-12,19-20H2,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:11,12,1,5,18,22,2,4,19,21,10,13,6,17,3,20,7,15,24,23,9,14,8,16/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;s6;d7;s7;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N4O2
All Atoms:46
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.4173
Area:591.32
Solvation:-3.36571
Coulombic:-77.2638
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:1.73
LogP (Chemaxon):0.65

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Descriptor Annotations

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