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Chemical ID: 6002310

CCCCCCc1ccc(cc1)C(=O)N(CCCCC)CC(=O)Nc2ccon2

Chemical ID:

6002310

Name [?]:

4-hexyl-N-(isoxazol-3-ylcarbamoylmethyl)-N-pentyl-benzamide

SMILES [?]:

CCCCCCc1ccc(cc1)C(=O)N(CCCCC)CC(=O)Nc2ccon2

InChi [?]:

InChI=1/C23H33N3O3/c1-3-5-7-8-10-19-11-13-20(14-12-19)23(28)26(16-9-6-4-2)18-22(27)24-21-15-17-29-25-21/h11-15,17H,3-10,16,18H2,1-2H3,(H,24,25,27)

InChi Info:

AuxInfo=1/1/N:1,20,2,19,3,18,4,5,17,6,8,12,9,11,26,16,27,21,7,10,25,22,13,24,29,15,23,14,28/E:(11,12)(13,14)/rA:29nCCCCCCCCCCCCCONCCCCCCCONCCCON/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s19;s15;s21;d22;s22;s24;s25;d26;s27;d25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₃N₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.3803
Area:	694.703
Solvation:	-3.98727
Coulombic:	-44.141

Bond Count [?]

All:	30
Single:	23
Double:	7
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	399.527
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.45
LogP (Chemaxon):	5.53

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value