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Chemical ID: 6876161
Chemical ID:
6876161
Name [?]:
4-[(2,5-dimethylphenyl)carbamoylmethoxy]-N-phenethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)NCCc3ccccc3)C
InChi [?]:
InChI=1/C25H26N2O3/c1-18-8-9-19(2)23(16-18)27-24(28)17-30-22-12-10-21(11-13-22)25(29)26-15-14-20-6-4-3-5-7-20/h3-13,16H,14-15,17H2,1-2H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,30,27,26,28,25,29,3,4,15,17,14,18,23,22,7,11,2,5,24,16,13,6,9,19,21,8,10,20,12/E:(4,5)(6,7)(10,11)(12,13)/rA:30nCCCCCCCNCOCOCCCCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;s24;d25;s26;d27;d24s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6991 |
Area: | 679.037 |
Solvation: | -5.27682 |
Coulombic: | -51.7183 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.486 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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