Chemical ID: 4148226

COc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OC3CCCCC3
Chemical ID:
4148226
Name [?]:
cyclohexyl 4-(2-methoxybenzoyl)aminobenzoate
SMILES [?]:
COc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OC3CCCCC3
InChi [?]:
InChI=1/C21H23NO4/c1-25-19-10-6-5-9-18(19)20(23)22-16-13-11-15(12-14-16)21(24)26-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,6,5,22,26,7,4,14,16,13,17,15,12,21,8,3,9,18,11,10,19,2,20/E:(3,4)(7,8)(11,12)(13,14)/rA:26nCOCCCCCCCONCCCCCCCOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0738
Area:580.023
Solvation:-4.42673
Coulombic:-49.4635
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.412
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.67
LogP (Chemaxon):3.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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