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Chemical ID: 6387468
Chemical ID:
6387468
Name [?]:
methyl 2-(3-cyclopentylpropanoylamino)benzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)CCC2CCCC2
InChi [?]:
InChI=1/C16H21NO3/c1-20-16(19)13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,19,7,8,17,20,6,9,15,14,16,5,10,12,3,11,13,4,2/E:(2,3)(6,7)/rA:20nCOCOCCCCCCNCOCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89915 |
Area: | 486.954 |
Solvation: | -2.27471 |
Coulombic: | -41.3516 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 275.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.34 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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