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Chemical ID: 5976248
Chemical ID:
5976248
Name [?]:
2-dimethylamino-5-(4-methylbenzoyl)amino-N-propyl-benzamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N(C)C)NC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C20H25N3O2/c1-5-12-21-20(25)17-13-16(10-11-18(17)23(3)4)22-19(24)15-8-6-14(2)7-9-15/h6-11,13H,5,12H2,1-4H3,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,14,15,2,21,23,20,24,10,11,3,8,22,19,9,7,12,17,5,4,16,13,18,6/E:(3,4)(6,7)(8,9)/rA:25nCCCNCOCCCCCCNCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s13;s9;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8246 |
Area: | 584.268 |
Solvation: | -3.78214 |
Coulombic: | -49.4252 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 339.432 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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