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Chemical ID: 4152346

Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccc(cc2)N3CCCCC3

Chemical ID:

4152346

Name [?]:

2-(4-isopropyl-3-methyl-phenoxy)-N-[4-(1-piperidyl)phenyl]-acetamide

SMILES [?]:

Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccc(cc2)N3CCCCC3

InChi [?]:

InChI=1/C23H30N2O2/c1-17(2)22-12-11-21(15-18(22)3)27-16-23(26)24-19-7-9-20(10-8-19)25-13-5-4-6-14-25/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:9,10,1,25,24,26,17,21,18,20,5,6,23,27,3,12,8,2,16,19,4,7,13,15,22,14,11/E:(1,2)(5,6)(7,8)(9,10)(13,14)/rA:27nCCCCCCCCCCOCCONCCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀N₂O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8321
Area:	614.848
Solvation:	-4.5391
Coulombic:	-35.2205

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	366.497
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.59
LogP (Chemaxon):	5.52

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