Chemical ID: 7022353

CCN(CC)c1ccc(cc1)C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N3CCCCC3
Chemical ID:
7022353
Name [?]:
N-[5-[(4-diethylaminophenyl)methyleneaminocarbamoyl]-5-(1-piperidyl)pentyl]benzamide
SMILES [?]:
CCN(CC)c1ccc(cc1)C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N3CCCCC3
InChi [?]:
InChI=1/C29H41N5O2/c1-3-33(4-2)26-18-16-24(17-19-26)23-31-32-29(36)27(34-21-11-6-12-22-34)15-9-10-20-30-28(35)25-13-7-5-8-14-25/h5,7-8,13-14,16-19,23,27H,3-4,6,9-12,15,20-22H2,1-2H3,(H,30,35)(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,28,34,27,29,19,20,33,35,26,30,18,8,10,7,11,21,32,36,12,9,25,6,17,23,15,22,13,14,3,31,24,16/E:(1,2)(3,4)(7,8)(11,12)(13,14)(16,17)(18,19)(21,22)/rA:36cCCNCCCCCCCCCNNCOCCCCCNCOCCCCCCNCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s17;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H41N5O2
All Atoms:77
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:14.8786
Area:825.327
Solvation:-5.75455
Coulombic:-53.3905
Bond Count [?]
All:38
Single:29
Double:9
Rotors:15
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:491.668
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:6.11
LogP (Chemaxon):4.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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