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Chemical ID: 5277237
Chemical ID:
5277237
Name [?]:
methyl 4-methyl-2-(p-tolylcarbamoylamino)pentanoate
SMILES [?]:
Cc1ccc(cc1)NC(=O)NC(CC(C)C)C(=O)OC
InChi [?]:
InChI=1/C15H22N2O3/c1-10(2)9-13(14(18)20-4)17-15(19)16-12-7-5-11(3)6-8-12/h5-8,10,13H,9H2,1-4H3,(H2,16,17,19)
InChi Info:
AuxInfo=1/1/N:15,16,1,20,3,7,4,6,13,14,2,5,12,17,9,8,11,18,10,19/E:(1,2)(5,6)(7,8)/rA:20cCCCCCCCNCONCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s14;s12;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.65284 |
Area: | 501.879 |
Solvation: | -2.89414 |
Coulombic: | -54.5581 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.02 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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