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Chemical ID: 7372420
Chemical ID:
7372420
Name [?]:
propyl 4-[2-(4-carbamoyl-1-piperidyl)acetyl]aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)N
InChi [?]:
InChI=1/C18H25N3O4/c1-2-11-25-18(24)14-3-5-15(6-4-14)20-16(22)12-21-9-7-13(8-10-21)17(19)23/h3-6,13H,2,7-12H2,1H3,(H2,19,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,8,12,9,11,19,21,18,22,3,16,20,7,10,14,23,5,25,13,17,15,24,6,4/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCOCOCCCCCCNCOCNCCCCCCON/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25N3O4 |
All Atoms: | 50 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82069 |
Area: | 590.546 |
Solvation: | -4.94296 |
Coulombic: | -69.0507 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 347.409 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 0.71 |
LogP (Chemaxon): | 0.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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