Chemical ID: 7348372

CCCN(CC(=O)Nc1ccc(cc1)C(=O)N)CC(=O)Nc2ccccc2C
Chemical ID:
7348372
Name [?]:
4-[2-(o-tolylcarbamoylmethyl-propyl-amino)acetyl]aminobenzamide
SMILES [?]:
CCCN(CC(=O)Nc1ccc(cc1)C(=O)N)CC(=O)Nc2ccccc2C
InChi [?]:
InChI=1/C21H26N4O3/c1-3-12-25(14-20(27)24-18-7-5-4-6-15(18)2)13-19(26)23-17-10-8-16(9-11-17)21(22)28/h4-11H,3,12-14H2,1-2H3,(H2,22,28)(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,28,2,25,24,26,23,11,13,10,14,3,5,18,27,12,9,22,6,19,15,17,8,21,4,7,20,16/E:(8,9)(10,11)/rA:28cCCCNCCONCCCCCCCONCCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s4;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N4O3
All Atoms:54
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.234
Area:638.797
Solvation:-5.73594
Coulombic:-71.1055
Bond Count [?]
All:29
Single:20
Double:9
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.456
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:1.43
LogP (Chemaxon):1.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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