Chemical ID: 4119499

c1c(cc(cc1NC(=O)C2CCCCC2)NC(=O)C3CCCCC3)C(=O)O
Chemical ID:
4119499
Name [?]:
3,5-bis(cyclohexylcarbonylamino)benzoic acid
SMILES [?]:
c1c(cc(cc1NC(=O)C2CCCCC2)NC(=O)C3CCCCC3)C(=O)O
InChi [?]:
InChI=1/C21H28N2O4/c24-19(14-7-3-1-4-8-14)22-17-11-16(21(26)27)12-18(13-17)23-20(25)15-9-5-2-6-10-15/h11-15H,1-10H2,(H,22,24)(H,23,25)(H,26,27)
InChi Info:
AuxInfo=1/1/N:13,22,12,14,21,23,11,15,20,24,1,3,5,10,19,2,6,4,8,17,25,7,16,9,18,26,27/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)(17,18)(19,20)(22,23)(24,25)(26,27)/gE:(1,2)/rA:27nCCCCCCNCOCCCCCCNCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s4;s16;d17;s17;s19;s20;s21;s22;s19s23;s2;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.2027
Area:597.241
Solvation:-3.72834
Coulombic:-67.8993
Bond Count [?]
All:29
Single:23
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.458
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.97
LogP (Chemaxon):3.96

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue