Chemical ID: 5254578

CCOC(=O)C(CC(C)C)NC(=O)NC(CC(C)C)C(=O)OCC
Chemical ID:
5254578
Name [?]:
ethyl 2-[(1-ethoxycarbonyl-3-methyl-butyl)carbamoylamino]-4-methyl-pentanoate
SMILES [?]:
CCOC(=O)C(CC(C)C)NC(=O)NC(CC(C)C)C(=O)OCC
InChi [?]:
InChI=1/C17H32N2O5/c1-7-23-15(20)13(9-11(3)4)18-17(22)19-14(10-12(5)6)16(21)24-8-2/h11-14H,7-10H2,1-6H3,(H2,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,24,9,10,18,19,2,23,7,16,8,17,6,15,4,20,12,11,14,5,21,13,3,22/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(23,24)/rA:24cCCOCOCCCCCNCONCCCCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s8;s6;s11;d12;s12;s14;s15;s16;s17;s17;s15;d20;s20;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H32N2O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:11.6983
Area:600.029
Solvation:-3.30239
Coulombic:-74.5126
Bond Count [?]
All:23
Single:20
Double:3
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:344.446
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.52
LogP (Chemaxon):2.49

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Descriptor Annotations

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