Chemical ID: 5976878

Cc1cccc(c1NC(=O)Nc2ccc(c(c2)C(=O)NC(C)c3ccccc3)N(C)C)C
Chemical ID:
5976878
Name [?]:
2-dimethylamino-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)benzamide
SMILES [?]:
Cc1cccc(c1NC(=O)Nc2ccc(c(c2)C(=O)NC(C)c3ccccc3)N(C)C)C
InChi [?]:
InChI=1/C26H30N4O2/c1-17-10-9-11-18(2)24(17)29-26(32)28-21-14-15-23(30(4)5)22(16-21)25(31)27-19(3)20-12-7-6-8-13-20/h6-16,19H,1-5H3,(H,27,31)(H2,28,29,32)
InChi Info:
AuxInfo=1/1/N:1,32,22,30,31,26,25,27,4,3,5,24,28,13,14,17,2,6,21,23,12,16,15,7,18,9,20,11,8,29,19,10/E:(1,2)(4,5)(7,8)(10,11)(12,13)(17,18)/rA:32cCCCCCCCNCONCCCCCCCONCCCCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s21;s23;d24;s25;d26;d23s27;s15;s29;s29;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N4O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.8724
Area:686.547
Solvation:-4.29125
Coulombic:-62.923
Bond Count [?]
All:34
Single:23
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:430.542
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.78
LogP (Chemaxon):4.49

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Descriptor Annotations

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