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Chemical ID: 6638598
Chemical ID:
6638598
Name [?]:
N-[(3,4-dimethoxyphenyl)-pentanoylamino-methyl]pentanamide
SMILES [?]:
CCCCC(=O)NC(c1ccc(c(c1)OC)OC)NC(=O)CCCC
InChi [?]:
InChI=1/C19H30N2O4/c1-5-7-9-17(22)20-19(21-18(23)10-8-6-2)14-11-12-15(24-3)16(13-14)25-4/h11-13,19H,5-10H2,1-4H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,18,16,2,24,3,23,4,22,10,11,14,9,12,13,5,20,8,7,19,6,21,17,15/E:(1,2)(5,6)(7,8)(9,10)(17,18)(20,21)(22,23)/gE:(1,2)/rA:25nCCCCCONCCCCCCCOCOCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s8;s19;d20;s20;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51013 |
Area: | 617.218 |
Solvation: | -6.92031 |
Coulombic: | -54.6603 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 350.453 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.5 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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