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Chemical ID: 5909010
Chemical ID:
5909010
Name [?]:
N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-isopropyl-butanamide
SMILES [?]:
CCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(C)C
InChi [?]:
InChI=1/C22H30N2O3/c1-4-9-21(25)24(18(2)3)17-22(26)23(16-20-12-8-15-27-20)14-13-19-10-6-5-7-11-19/h5-8,10-12,15,18H,4,9,13-14,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,2,16,15,17,22,3,14,18,21,12,11,23,19,7,25,13,20,4,8,10,6,5,9,24/E:(2,3)(6,7)(10,11)/rA:27nCCCCONCCONCCCCCCCCCCCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10;s19;d20;s21;d22;s20s23;s6;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8284 |
Area: | 618.818 |
Solvation: | -4.64206 |
Coulombic: | -40.2923 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 370.485 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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