Chemical ID: 7099953

CCOc1ccc(cc1)C(=O)C2CCN(CC2)CC(=O)Nc3ccc(cc3)C(=O)O
Chemical ID:
7099953
Name [?]:
4-[2-[4-(4-ethoxybenzoyl)-1-piperidyl]acetyl]aminobenzoic acid
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2CCN(CC2)CC(=O)Nc3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C23H26N2O5/c1-2-30-20-9-5-16(6-10-20)22(27)17-11-13-25(14-12-17)15-21(26)24-19-7-3-18(4-8-19)23(28)29/h3-10,17H,2,11-15H2,1H3,(H,24,26)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,24,26,6,8,23,27,5,9,13,17,14,16,18,7,12,25,22,4,19,10,28,21,15,20,11,29,30,3/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(28,29)/rA:30nCCOCCCCCCCOCCCNCCCCONCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O5
All Atoms:56
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.191
Area:659.108
Solvation:-6.28672
Coulombic:-67.4835
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:410.463
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.61
LogP (Chemaxon):0.26

Name Annotations

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Descriptor Annotations

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