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Chemical ID: 4900806
Chemical ID:
4900806
Name [?]:
methyl 2-(3-ethoxypropylcarbamoylamino)-3-methyl-pentanoate
SMILES [?]:
CCC(C)C(C(=O)OC)NC(=O)NCCCOCC
InChi [?]:
InChI=1/C13H26N2O4/c1-5-10(3)11(12(16)18-4)15-13(17)14-8-7-9-19-6-2/h10-11H,5-9H2,1-4H3,(H2,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,19,4,9,2,18,15,14,16,3,5,6,11,13,10,7,12,8,17/rA:19cCCCCCCOOCNCONCCCOCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H26N2O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.13223 |
Area: | 511.459 |
Solvation: | -3.65425 |
Coulombic: | -62.3747 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 274.357 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.39 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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