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Chemical ID: 6006605
Chemical ID:
6006605
Name [?]:
2-[2-[(2-benzyloxyacetyl)-cyclopropyl-amino]acetyl]amino-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CNC(=O)CN(C2CC2)C(=O)COCc3ccccc3
InChi [?]:
InChI=1/C23H27N3O4/c1-17-7-9-19(10-8-17)25-21(27)13-24-22(28)14-26(20-11-12-20)23(29)16-30-15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,26,30,3,7,4,6,18,19,11,15,24,22,2,25,5,17,9,13,20,12,8,16,10,14,21,23/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCNCOCNCOCNCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s17s18;s16;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2792 |
Area: | 691.898 |
Solvation: | -7.01829 |
Coulombic: | -66.0425 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 409.478 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.93 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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