Chemical ID: 4105082

CCCOC(=O)c1cccc(c1)NC(=O)CCc2ccccc2
Chemical ID:
4105082
Name [?]:
propyl 3-(3-phenylpropanoylamino)benzoate
SMILES [?]:
CCCOC(=O)c1cccc(c1)NC(=O)CCc2ccccc2
InChi [?]:
InChI=1/C19H21NO3/c1-2-13-23-19(22)16-9-6-10-17(14-16)20-18(21)12-11-15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,9,19,23,8,10,17,16,3,12,18,7,11,14,5,13,15,6,4/E:(4,5)(7,8)/rA:23nCCCOCOCCCCCCNCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0842
Area:560.376
Solvation:-2.92518
Coulombic:-41.9642
Bond Count [?]
All:24
Single:16
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:311.375
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.69
LogP (Chemaxon):3.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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