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Chemical ID: 4113745
Chemical ID:
4113745
Name [?]:
propyl 3-(2-methylbenzoyl)aminobenzoate
SMILES [?]:
CCCOC(=O)c1cccc(c1)NC(=O)c2ccccc2C
InChi [?]:
InChI=1/C18H19NO3/c1-3-11-22-18(21)14-8-6-9-15(12-14)19-17(20)16-10-5-4-7-13(16)2/h4-10,12H,3,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,19,18,9,20,8,10,17,3,12,21,7,11,16,14,5,13,15,6,4/rA:22nCCCOCOCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5007 |
Area: | 518.813 |
Solvation: | -2.46965 |
Coulombic: | -43.4514 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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