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Chemical ID: 6016234
Chemical ID:
6016234
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-2,2-dimethyl-N-(3-morpholinopropyl)propanamide
SMILES [?]:
CC(C)(C)C(=O)N(CCCN1CCOCC1)CC(=O)N(Cc2ccccc2)Cc3ccco3
InChi [?]:
InChI=1/C26H37N3O4/c1-26(2,3)25(31)28(13-8-12-27-14-17-32-18-15-27)21-24(30)29(20-23-11-7-16-33-23)19-22-9-5-4-6-10-22/h4-7,9-11,16H,8,12-15,17-21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,25,24,26,31,9,23,27,30,10,8,12,16,32,13,15,21,28,17,22,29,18,5,2,11,7,20,19,6,14,33/E:(1,2,3)(5,6)(9,10)(14,15)(17,18)/rA:33nCCCCCONCCCNCCOCCCCONCCCCCCCCCCCCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s7;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s20;s28;d29;s30;d31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H37N3O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1937 |
Area: | 687.807 |
Solvation: | -6.00149 |
Coulombic: | -53.6889 |
Bond Count [?]
All: | 35 |
Single: | 28 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 455.59 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.84 |
LogP (Chemaxon): | 2.68 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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