ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 5050666

Chemical ID:

5050666

Name [?]:

2-phenyl-N-(2,4,6-triethylphenyl)-acetamide

SMILES [?]:

CCc1cc(c(c(c1)CC)NC(=O)Cc2ccccc2)CC

InChi [?]:

InChI=1/C20H25NO/c1-4-15-12-17(5-2)20(18(6-3)13-15)21-19(22)14-16-10-8-7-9-11-16/h7-13H,4-6,14H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,10,22,2,9,21,18,17,19,16,20,8,4,14,3,15,7,5,12,6,11,13/E:(2,3)(5,6)(8,9)(10,11)(12,13)(17,18)/rA:22nCCCCCCCCCCNCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5472
Area:	519.152
Solvation:	-2.43157
Coulombic:	-22.4084

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	295.419
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.09
LogP (Chemaxon):	4.51

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