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Chemical ID: 5851939
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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