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Chemical ID: 5515221

Chemical ID:

5515221

Name [?]:

N-butyl-2-[2-(4-methoxyphenyl)acetyl]amino-benzamide

SMILES [?]:

CCCCNC(=O)c1ccccc1NC(=O)Cc2ccc(cc2)OC

InChi [?]:

InChI=1/C20H24N2O3/c1-3-4-13-21-20(24)17-7-5-6-8-18(17)22-19(23)14-15-9-11-16(25-2)12-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,25,2,3,10,11,9,12,19,23,20,22,4,17,18,21,8,13,15,6,5,14,16,7,24/E:(9,10)(11,12)/rA:25nCCCCNCOCCCCCCNCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4189
Area:	585.712
Solvation:	-4.22388
Coulombic:	-50.6022

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	340.416
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.9
LogP (Chemaxon):	3.72

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