Chemical ID: 6009753

CCCCCc1ccc(cc1)C(=O)N(CC)CC(=O)Nc2cc(on2)C
Chemical ID:
6009753
Name [?]:
N-ethyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CC)CC(=O)Nc2cc(on2)C
InChi [?]:
InChI=1/C20H27N3O3/c1-4-6-7-8-16-9-11-17(12-10-16)20(25)23(5-2)14-19(24)21-18-13-15(3)26-22-18/h9-13H,4-8,14H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,26,2,15,3,4,5,7,11,8,10,22,17,23,6,9,21,18,12,20,25,14,19,13,24/E:(9,10)(11,12)/rA:26nCCCCCCCCCCCCONCCCCONCCCONC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s14;s17;d18;s18;s20;s21;d22;s23;d21s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4978
Area:612.053
Solvation:-3.80356
Coulombic:-42.9917
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:357.447
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.62
LogP (Chemaxon):3.89

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