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Chemical ID: 4348801
Chemical ID:
4348801
Name [?]:
N-[(3,4-dimethoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)NC(c1ccc(c(c1)OC)OC)NC(=O)CC(C)C
InChi [?]:
InChI=1/C19H30N2O4/c1-12(2)9-17(22)20-19(21-18(23)10-13(3)4)14-7-8-15(24-5)16(11-14)25-6/h7-8,11-13,19H,9-10H2,1-6H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,24,25,18,16,10,11,4,22,14,2,23,9,12,13,5,20,8,7,19,6,21,17,15/E:(1,2,3,4)(9,10)(12,13)(17,18)(20,21)(22,23)/gE:(1,2)/rA:25nCCCCCONCCCCCCCOCOCNCOCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s8;s19;d20;s20;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.07668 |
Area: | 595.134 |
Solvation: | -6.80168 |
Coulombic: | -54.6732 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 350.453 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.38 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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