Chemical ID: 4755190

CC(C)N(Cc1ccccc1)C(=O)c2ccccc2C(=O)O
Chemical ID:
4755190
Name [?]:
2-(benzyl-isopropyl-carbamoyl)benzoic acid
SMILES [?]:
CC(C)N(Cc1ccccc1)C(=O)c2ccccc2C(=O)O
InChi [?]:
InChI=1/C18H19NO3/c1-13(2)19(12-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18(21)22/h3-11,13H,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,9,8,10,16,17,7,11,15,18,5,2,6,14,19,12,20,4,13,21,22/E:(1,2)(4,5)(8,9)(21,22)/rA:22nCCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s4;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.29951
Area:457.917
Solvation:-3.14843
Coulombic:-46.0955
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):3.24

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Descriptor Annotations

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