Chemical ID: 5976320

CCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NC(C)c3ccccc3)N(C)C
Chemical ID:
5976320
Name [?]:
2-dimethylamino-5-(4-ethylbenzoyl)amino-N-(1-phenylethyl)benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NC(C)c3ccccc3)N(C)C
InChi [?]:
InChI=1/C26H29N3O2/c1-5-19-11-13-21(14-12-19)25(30)28-22-15-16-24(29(3)4)23(17-22)26(31)27-18(2)20-9-7-6-8-10-20/h6-18H,5H2,1-4H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,22,30,31,2,26,25,27,24,28,4,8,5,7,13,14,17,21,3,23,6,12,16,15,9,18,20,11,29,10,19/E:(3,4)(7,8)(9,10)(11,12)(13,14)/rA:31cCCCCCCCCCONCCCCCCCONCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s21;s23;d24;s25;d26;d23s27;s15;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.0869
Area:683.093
Solvation:-3.99037
Coulombic:-51.3604
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:415.527
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.74
LogP (Chemaxon):5.32

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Descriptor Annotations

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