Chemical ID: 5277237

Cc1ccc(cc1)NC(=O)NC(CC(C)C)C(=O)OC
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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Descriptor Annotations

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