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Chemical ID: 6011282
Chemical ID:
6011282
Name [?]:
N-[[benzyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-isopropyl-propanamide
SMILES [?]:
CCC(=O)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3)C(C)C
InChi [?]:
InChI=1/C25H31N3O2/c1-4-24(29)28(19(2)3)18-25(30)27(17-20-10-6-5-7-11-20)15-14-21-16-26-23-13-9-8-12-22(21)23/h5-13,16,19,26H,4,14-15,17-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,30,2,25,24,26,18,19,23,27,17,20,11,10,13,21,6,28,22,12,16,15,3,7,14,9,5,4,8/E:(2,3)(6,7)(10,11)/rA:30nCCCONCCONCCCCNCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;s21;s22;d23;s24;d25;d22s26;s5;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H31N3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9668 |
Area: | 646.238 |
Solvation: | -4.18915 |
Coulombic: | -44.869 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 405.533 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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