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Chemical ID: 7038772
Chemical ID:
7038772
Name [?]:
N-[(3-methoxyphenyl)-(2-phenylacetyl)amino-methyl]-2-phenyl-acetamide
SMILES [?]:
COc1cccc(c1)C(NC(=O)Cc2ccccc2)NC(=O)Cc3ccccc3
InChi [?]:
InChI=1/C24H24N2O3/c1-29-21-14-8-13-20(17-21)24(25-22(27)15-18-9-4-2-5-10-18)26-23(28)16-19-11-6-3-7-12-19/h2-14,17,24H,15-16H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,17,27,16,18,26,28,5,15,19,25,29,6,4,13,23,8,14,24,7,3,11,21,9,10,20,12,22,2/E:(2,3)(4,5,6,7)(9,10,11,12)(15,16)(18,19)(22,23)(25,26)(27,28)/gE:(1,2)/rA:29nCOCCCCCCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s9;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9793 |
Area: | 641.314 |
Solvation: | -6.05355 |
Coulombic: | -49.8488 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 388.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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