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Chemical ID: 5375169
Chemical ID:
5375169
Name [?]:
N-[(3-benzyloxyphenyl)-pentanoylamino-methyl]pentanamide
SMILES [?]:
CCCCC(=O)NC(c1cccc(c1)OCc2ccccc2)NC(=O)CCCC
InChi [?]:
InChI=1/C24H32N2O3/c1-3-5-15-22(27)25-24(26-23(28)16-6-4-2)20-13-10-14-21(17-20)29-18-19-11-8-7-9-12-19/h7-14,17,24H,3-6,15-16,18H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,2,28,3,27,20,19,21,11,18,22,10,12,4,26,14,16,17,9,13,5,24,8,7,23,6,25,15/E:(1,2)(3,4)(5,6)(8,9)(11,12)(15,16)(22,23)(25,26)(27,28)/gE:(1,2)/rA:29nCCCCCONCCCCCCCOCCCCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s17;d18;s19;d20;d17s21;s8;s23;d24;s24;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3975 |
Area: | 698.549 |
Solvation: | -5.0662 |
Coulombic: | -50.7205 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 396.523 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.57 |
LogP (Chemaxon): | 4.73 |
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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