Chemical ID: 6004902

CCCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2cc(on2)C)C(C)C
Chemical ID:
6004902
Name [?]:
N-isopropyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2cc(on2)C)C(C)C
InChi [?]:
InChI=1/C21H29N3O3/c1-5-6-7-8-17-9-11-18(12-10-17)21(26)24(15(2)3)14-20(25)22-19-13-16(4)27-23-19/h9-13,15H,5-8,14H2,1-4H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,27,24,2,3,4,5,7,11,8,10,20,15,25,21,6,9,19,16,12,18,23,14,17,13,22/E:(2,3)(9,10)(11,12)/rA:27nCCCCCCCCCCCCONCCONCCCONCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;s19;d20;s21;d19s22;s21;s14;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.8469
Area:620.0
Solvation:-3.65305
Coulombic:-43.284
Bond Count [?]
All:28
Single:21
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:371.473
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.08
LogP (Chemaxon):4.3

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