Chemical ID: 4778643

c1cnccc1CNC(=O)CC2(CCCCC2)CC(=O)O
Chemical ID:
4778643
Name [?]:
2-[1-(4-pyridylmethylcarbamoylmethyl)cyclohexyl]acetic acid
SMILES [?]:
c1cnccc1CNC(=O)CC2(CCCCC2)CC(=O)O
InChi [?]:
InChI=1/C16H22N2O3/c19-14(18-12-13-4-8-17-9-5-13)10-16(11-15(20)21)6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10-12H2,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,5,13,17,2,4,11,18,7,6,9,19,12,3,8,10,20,21/E:(2,3)(4,5)(6,7)(8,9)(20,21)/rA:21nCCNCCCCNCOCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s12;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.1826
Area:489.927
Solvation:-3.06557
Coulombic:-51.477
Bond Count [?]
All:22
Single:17
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.358
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.38
LogP (Chemaxon):0.25

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