Chemical ID: 6441238

c1ccc(c(c1)C(=O)NCCCCNC(=O)c2ccccc2N)N
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

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Descriptor Annotations

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