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Chemical ID: 3852815

CC(=O)c1ccc(cc1)NC(=O)CN2CCN(CC2)c3ccc(cc3)OC

Chemical ID:

3852815

Name [?]:

N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-acetamide

SMILES [?]:

CC(=O)c1ccc(cc1)NC(=O)CN2CCN(CC2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C21H25N3O3/c1-16(25)17-3-5-18(6-4-17)22-21(26)15-23-11-13-24(14-12-23)19-7-9-20(27-2)10-8-19/h3-10H,11-15H2,1-2H3,(H,22,26)

InChi Info:

AuxInfo=1/1/N:1,27,5,9,6,8,21,25,22,24,15,19,16,18,13,2,4,7,20,23,11,10,14,17,3,12,26/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCOCCCCCCNCOCNCCNCCCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅N₃O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.00617
Area:	600.945
Solvation:	-6.01745
Coulombic:	-45.4041

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	367.442
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.37
LogP (Chemaxon):	2.25

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

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

Chemical Mix	Source	External ID	Descriptor	Value