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Chemical ID: 7038725
Chemical ID:
7038725
Name [?]:
N-[(4-ethoxyphenyl)-pentanoylamino-methyl]pentanamide
SMILES [?]:
CCCCC(=O)NC(c1ccc(cc1)OCC)NC(=O)CCCC
InChi [?]:
InChI=1/C19H30N2O3/c1-4-7-9-17(22)20-19(21-18(23)10-8-5-2)15-11-13-16(14-12-15)24-6-3/h11-14,19H,4-10H2,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,17,2,23,16,3,22,4,21,10,14,11,13,9,12,5,19,8,7,18,6,20,15/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)(17,18)(20,21)(22,23)/gE:(1,2)/rA:24nCCCCCONCCCCCCCOCCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s8;s18;d19;s19;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2O3 |
All Atoms: | 54 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.607 |
Area: | 612.528 |
Solvation: | -4.70623 |
Coulombic: | -48.8185 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 334.453 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.28 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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