Chemical ID: 4401878

CCCOC(=O)c1ccc(cc1)NC(=O)c2cc3ccccc3cc2OC
Chemical ID:
4401878
Name [?]:
propyl 4-[(3-methoxy-2-naphthyl)carbonylamino]benzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2cc3ccccc3cc2OC
InChi [?]:
InChI=1/C22H21NO4/c1-3-12-27-22(25)15-8-10-18(11-9-15)23-21(24)19-13-16-6-4-5-7-17(16)14-20(19)26-2/h4-11,13-14H,3,12H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,20,21,19,22,8,12,9,11,3,17,24,7,18,23,10,16,25,14,5,13,15,6,26,4/E:(8,9)(10,11)/rA:27nCCCOCOCCCCCCNCOCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;s20;d21;s18s22;d23;d16s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3331
Area:600.967
Solvation:-4.6911
Coulombic:-49.3534
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:363.406
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.89
LogP (Chemaxon):4.21

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