Chemical ID: 5837422

CC(C)CCN1C(c2ccccc2C1=O)Nc3ccccc3
Chemical ID:
5837422
Name [?]:
3-anilino-2-isopentyl-isoindolin-1-one
SMILES [?]:
CC(C)CCN1C(c2ccccc2C1=O)Nc3ccccc3
InChi [?]:
InChI=1/C19H22N2O/c1-14(2)12-13-21-18(20-15-8-4-3-5-9-15)16-10-6-7-11-17(16)19(21)22/h3-11,14,18,20H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,21,10,11,18,22,9,12,4,5,2,17,8,13,7,14,16,6,15/E:(1,2)(4,5)(8,9)/rA:22cCCCCCNCCCCCCCCONCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s6s13;d14;s7;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.654
Area:501.74
Solvation:-1.88954
Coulombic:-32.5032
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.81
LogP (Chemaxon):4.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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