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Chemical ID: 7521277
Chemical ID:
7521277
Name [?]:
ethyl 4-(2-pyrrolidin-1-ylacetyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)CN2CCCC2
InChi [?]:
InChI=1/C15H20N2O3/c1-2-20-15(19)12-5-7-13(8-6-12)16-14(18)11-17-9-3-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,7,11,8,10,17,20,15,6,9,13,4,12,16,14,5,3/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCOCOCCCCCCNCOCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O3 |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.99822 |
Area: | 490.196 |
Solvation: | -3.25669 |
Coulombic: | -44.9983 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.67 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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