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Chemical ID: 4489658

CCOc1cc(ccc1OCC(=O)NC2CCCCC2)CNCc3ccccc3

Chemical ID:

4489658

Name [?]:

2-[4-(benzylaminomethyl)-2-ethoxy-phenoxy]-N-cyclohexyl-acetamide

SMILES [?]:

CCOc1cc(ccc1OCC(=O)NC2CCCCC2)CNCc3ccccc3

InChi [?]:

InChI=1/C24H32N2O3/c1-2-28-23-15-20(17-25-16-19-9-5-3-6-10-19)13-14-22(23)29-18-24(27)26-21-11-7-4-8-12-21/h3,5-6,9-10,13-15,21,25H,2,4,7-8,11-12,16-18H2,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,2,27,18,26,28,17,19,25,29,16,20,7,8,5,23,21,11,24,6,15,9,4,12,22,14,13,3,10/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCOCCCCCCOCCONCCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s6;s21;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂N₂O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2885
Area:	682.496
Solvation:	-6.77394
Coulombic:	-45.8433

Bond Count [?]

All:	31
Single:	24
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	396.523
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.23
LogP (Chemaxon):	3.69

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