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Chemical ID: 5909168
Chemical ID:
5909168
Name [?]:
N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-(2-methoxyethyl)butanamide
SMILES [?]:
CCCC(=O)N(CCOC)CC(=O)N(CCc1ccccc1)Cc2ccco2
InChi [?]:
InChI=1/C22H30N2O4/c1-3-8-21(25)24(14-16-27-2)18-22(26)23(17-20-11-7-15-28-20)13-12-19-9-5-4-6-10-19/h4-7,9-11,15H,3,8,12-14,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,20,19,21,26,3,18,22,25,16,15,7,27,8,23,11,17,24,4,12,14,6,5,13,9,28/E:(5,6)(9,10)/rA:28nCCCCONCCOCCCONCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6902 |
Area: | 638.373 |
Solvation: | -5.26915 |
Coulombic: | -48.4399 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 386.485 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.07 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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