Chemical ID: 4900806

CCC(C)C(C(=O)OC)NC(=O)NCCCOCC
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

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