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Chemical ID: 6003815
Chemical ID:
6003815
Name [?]:
N-(2-methoxyethyl)-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)N(CCOC)CC(=O)NCC(=O)Nc1ccc(cc1)OC
InChi [?]:
InChI=1/C19H29N3O5/c1-14(2)11-19(25)22(9-10-26-3)13-18(24)20-12-17(23)21-15-5-7-16(27-4)8-6-15/h5-8,14H,9-13H2,1-4H3,(H,20,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,11,27,21,25,22,24,8,9,4,16,12,2,20,23,17,13,5,15,19,7,18,14,6,10,26/E:(1,2)(5,6)(7,8)/rA:27nCCCCCONCCOCCCONCCONCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s7;s12;d13;s13;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H29N3O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21556 |
Area: | 643.691 |
Solvation: | -6.87671 |
Coulombic: | -71.1813 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 379.451 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 0.82 |
LogP (Chemaxon): | 0.4 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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