Chemical ID: 7022336

CCN(CC)C(CCCCNC(=O)c1ccccc1)C(=O)NN=Cc2ccc(cc2)C(C)C
Chemical ID:
7022336
Name [?]:
N-[5-diethylamino-5-[(4-isopropylphenyl)methyleneaminocarbamoyl]pentyl]benzamide
SMILES [?]:
CCN(CC)C(CCCCNC(=O)c1ccccc1)C(=O)NN=Cc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C27H38N4O2/c1-5-31(6-2)25(14-10-11-19-28-26(32)24-12-8-7-9-13-24)27(33)30-29-20-22-15-17-23(18-16-22)21(3)4/h7-9,12-13,15-18,20-21,25H,5-6,10-11,14,19H2,1-4H3,(H,28,32)(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,5,32,33,2,4,17,16,18,8,9,15,19,7,26,30,27,29,10,24,31,25,28,14,6,12,20,11,23,22,3,13,21/E:(1,2)(3,4)(5,6)(8,9)(12,13)(15,16)(17,18)/rA:33cCCNCCCCCCCNCOCCCCCCCONNCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s6;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s28;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H38N4O2
All Atoms:71
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:14.0742
Area:774.518
Solvation:-5.28878
Coulombic:-48.2893
Bond Count [?]
All:34
Single:25
Double:9
Rotors:15
Chiral:1
Rigid Segments:11
Chemical Properties
Molecular Weight:450.616
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.45
LogP (Chemaxon):5.12

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