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Chemical ID: 5976593
Chemical ID:
5976593
Name [?]:
N-[4-dimethylamino-3-(3-ethoxypropylcarbamoyl)phenyl]-3,5,5-trimethyl-hexanamide
SMILES [?]:
CCOCCCNC(=O)c1cc(ccc1N(C)C)NC(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C23H39N3O3/c1-8-29-13-9-12-24-22(28)19-15-18(10-11-20(19)26(6)7)25-21(27)14-17(2)16-23(3,4)5/h10-11,15,17H,8-9,12-14,16H2,1-7H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,24,27,28,29,17,18,2,5,13,14,6,4,22,11,25,23,12,10,15,20,8,26,7,19,16,21,9,3/E:(3,4,5)(6,7)/rA:29cCCOCCCNCOCCCCCCNCCNCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s16;s12;s19;d20;s20;s22;s23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H39N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1621 |
Area: | 699.096 |
Solvation: | -5.31529 |
Coulombic: | -55.3242 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 405.574 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.06 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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