Chemical ID: 6009890

CCCCCc1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)Nc3cc(on3)C
Chemical ID:
6009890
Name [?]:
N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-4-pentyl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)Nc3cc(on3)C
InChi [?]:
InChI=1/C23H31N3O4/c1-3-4-5-7-18-9-11-19(12-10-18)23(28)26(15-20-8-6-13-29-20)16-22(27)24-21-14-17(2)30-25-21/h9-12,14,20H,3-8,13,15-16H2,1-2H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,30,2,3,4,18,5,17,7,11,8,10,19,26,15,21,27,6,9,16,25,22,12,24,29,14,23,13,20,28/E:(9,10)(11,12)/rA:30cCCCCCCCCCCCCONCCCCCOCCONCCCONC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s18;s16s19;s14;s21;d22;s22;s24;s25;d26;s27;d25s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.3332
Area:678.305
Solvation:-4.62444
Coulombic:-51.2771
Bond Count [?]
All:32
Single:25
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:413.51
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.55
LogP (Chemaxon):3.77

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Descriptor Annotations

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