Chemical ID: 5892962

CCCCC(CC)C(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCCC3
Chemical ID:
5892962
Name [?]:
2-ethyl-N-[4-pyrrolidin-1-yl-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCCC3
InChi [?]:
InChI=1/C24H37N3O3/c1-3-5-9-18(4-2)23(28)26-19-11-12-22(27-13-6-7-14-27)21(16-19)24(29)25-17-20-10-8-15-30-20/h11-12,16,18,20H,3-10,13-15,17H2,1-2H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,28,29,23,4,22,12,13,27,30,24,16,20,5,11,21,15,14,8,17,19,10,26,9,18,25/E:(6,7)(13,14)/rA:30cCCCCCCCCONCCCCCCCONCCCCCONCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s22;s23;s21s24;s14;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H37N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:12.2737
Area:690.506
Solvation:-4.98896
Coulombic:-55.8708
Bond Count [?]
All:32
Single:27
Double:5
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:415.569
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.57
LogP (Chemaxon):3.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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