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Chemical ID: 4035381
Chemical ID:
4035381
Name [?]:
methyl 2-phenyl-2-(propylcarbamoylamino)acetate
SMILES [?]:
CCCNC(=O)NC(c1ccccc1)C(=O)OC
InChi [?]:
InChI=1/C13H18N2O3/c1-3-9-14-13(17)15-11(12(16)18-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H2,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,18,2,12,11,13,10,14,3,9,8,15,5,4,7,16,6,17/E:(5,6)(7,8)/rA:18cCCCNCONCCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s8;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.79436 |
Area: | 466.091 |
Solvation: | -2.85791 |
Coulombic: | -55.7622 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 250.294 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.41 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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