Chemical ID: 3962655

c1ccc(cc1)CNC(=O)NC2(CCCCC2)C(=O)O
Chemical ID:
3962655
Name [?]:
1-(benzylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILES [?]:
c1ccc(cc1)CNC(=O)NC2(CCCCC2)C(=O)O
InChi [?]:
InChI=1/C15H20N2O3/c18-13(19)15(9-5-2-6-10-15)17-14(20)16-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,18,19)(H2,16,17,20)
InChi Info:
AuxInfo=1/1/N:1,15,2,6,14,16,3,5,13,17,7,4,18,9,12,8,11,19,20,10/E:(3,4)(5,6)(7,8)(9,10)(18,19)/rA:20nCCCCCCCNCONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s12;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.00893
Area:466.112
Solvation:-2.64388
Coulombic:-63.7444
Bond Count [?]
All:21
Single:16
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.331
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.02
LogP (Chemaxon):2.08

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