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Chemical ID: 5363711
Chemical ID:
5363711
Name [?]:
N-[(3-ethoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide
SMILES [?]:
CCOc1cccc(c1)C(NC(=O)CC(C)C)NC(=O)CC(C)C
InChi [?]:
InChI=1/C19H30N2O3/c1-6-24-16-9-7-8-15(12-16)19(20-17(22)10-13(2)3)21-18(23)11-14(4)5/h7-9,12-14,19H,6,10-11H2,1-5H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,16,17,23,24,2,6,7,5,14,21,9,15,22,8,4,12,19,10,11,18,13,20,3/E:(2,3,4,5)(10,11)(13,14)(17,18)(20,21)(22,23)/gE:(1,2)/rA:24nCCOCCCCCCCNCOCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;s15;s15;s10;s18;d19;s19;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2277 |
Area: | 590.955 |
Solvation: | -4.54614 |
Coulombic: | -48.8947 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 334.453 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.16 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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