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Chemical ID: 6006709

CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)C)C(=O)c2ccc(cc2OC)OC

Chemical ID:

6006709

Name [?]:

N-butyl-2,4-dimethoxy-N-(p-tolylcarbamoylmethylcarbamoylmethyl)benzamide

SMILES [?]:

CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)C)C(=O)c2ccc(cc2OC)OC

InChi [?]:

InChI=1/C24H31N3O5/c1-5-6-13-27(24(30)20-12-11-19(31-3)14-21(20)32-4)16-23(29)25-15-22(28)26-18-9-7-17(2)8-10-18/h7-12,14H,5-6,13,15-16H2,1-4H3,(H,25,29)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,20,32,30,2,3,16,18,15,19,25,24,4,27,10,6,17,14,26,23,28,11,7,21,9,13,5,12,8,22,31,29/E:(7,8)(9,10)/rA:32nCCCCNCCONCCONCCCCCCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s5;d21;s21;s23;d24;s25;d26;d23s27;s28;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₁N₃O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2714
Area:	718.919
Solvation:	-7.70161
Coulombic:	-71.8257

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	441.52
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.1
LogP (Chemaxon):	2.37

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value