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Chemical ID: 5375303
Chemical ID:
5375303
Name [?]:
N-[(3-methoxy-4-propoxy-phenyl)-pentanoylamino-methyl]pentanamide
SMILES [?]:
CCCCC(=O)NC(c1ccc(c(c1)OC)OCCC)NC(=O)CCCC
InChi [?]:
InChI=1/C21H34N2O4/c1-5-8-10-19(24)22-21(23-20(25)11-9-6-2)16-12-13-17(27-14-7-3)18(15-16)26-4/h12-13,15,21H,5-11,14H2,1-4H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,20,16,2,26,19,3,25,4,24,10,11,18,14,9,12,13,5,22,8,7,21,6,23,15,17/E:(1,2)(5,6)(8,9)(10,11)(19,20)(22,23)(24,25)/gE:(1,2)/rA:27nCCCCCONCCCCCCCOCOCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s18;s19;s8;s21;d22;s22;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H34N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0167 |
Area: | 671.577 |
Solvation: | -6.77277 |
Coulombic: | -55.3977 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 378.506 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.29 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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