Chemical ID: 5845402

CC(CCc1ccccc1)NC(=O)c2ccccc2C(=O)O
Chemical ID:
5845402
Name [?]:
2-[(1-methyl-3-phenyl-propyl)carbamoyl]benzoic acid
SMILES [?]:
CC(CCc1ccccc1)NC(=O)c2ccccc2C(=O)O
InChi [?]:
InChI=1/C18H19NO3/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18(21)22/h2-10,13H,11-12H2,1H3,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,16,17,6,10,15,18,3,4,2,5,14,19,12,20,11,13,21,22/E:(3,4)(7,8)(21,22)/rA:22cCCCCCCCCCCNCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;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:1
ZAP Information [?]
Total:9.72373
Area:513.595
Solvation:-3.11614
Coulombic:-50.9741
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:297.348
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.73
LogP (Chemaxon):3.3

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Descriptor Annotations

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