Chemical ID: 5851939

c1ccc(cc1)CCCCNC(=O)C2CCCCC2C(=O)O
Chemical ID:
5851939
Name [?]:
2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
SMILES [?]:
c1ccc(cc1)CCCCNC(=O)C2CCCCC2C(=O)O
InChi [?]:
InChI=1/C18H25NO3/c20-17(15-11-4-5-12-16(15)18(21)22)19-13-7-6-10-14-8-2-1-3-9-14/h1-3,8-9,15-16H,4-7,10-13H2,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,17,8,9,3,5,7,15,18,10,4,14,19,12,20,11,13,21,22/E:(2,3)(8,9)(21,22)/rA:22cCCCCCCCCCCNCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.61871
Area:525.467
Solvation:-3.51798
Coulombic:-47.8857
Bond Count [?]
All:23
Single:18
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:303.396
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.26
LogP (Chemaxon):3.24

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