Chemical ID: 5892945

CC(C)(C)C(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCCC3
Chemical ID:
5892945
Name [?]:
5-(2,2-dimethylpropanoylamino)-2-pyrrolidin-1-yl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCCC3
InChi [?]:
InChI=1/C21H31N3O3/c1-21(2,3)20(26)23-15-8-9-18(24-10-4-5-11-24)17(13-15)19(25)22-14-16-7-6-12-27-16/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,25,26,20,19,9,10,24,27,21,13,17,8,18,12,11,14,5,2,16,7,23,15,6,22/E:(1,2,3)(4,5)(10,11)/rA:27cCCCCCONCCCCCCCONCCCCCONCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;d14;s14;s16;s17;s18;s19;s20;s18s21;s11;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H31N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.3291
Area:610.944
Solvation:-4.94446
Coulombic:-55.143
Bond Count [?]
All:29
Single:24
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:373.489
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.5
LogP (Chemaxon):2.95

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Descriptor Annotations

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