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Chemical ID: 4397415

COc1ccc(cc1)C(c2ccccc2)NC(=O)C(c3ccccc3)c4ccccc4

Chemical ID:

4397415

Name [?]:

N-[(4-methoxyphenyl)-phenyl-methyl]-2,2-diphenyl-acetamide

SMILES [?]:

COc1ccc(cc1)C(c2ccccc2)NC(=O)C(c3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C28H25NO2/c1-31-25-19-17-24(18-20-25)27(23-15-9-4-10-16-23)29-28(30)26(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-20,26-27H,1H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,23,29,13,22,24,28,30,12,14,21,25,27,31,11,15,5,7,4,8,20,26,10,6,3,19,9,17,16,18,2/E:(2,3)(5,6,7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)/rA:31cCOCCCCCCCCCCCCCNCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₅NO₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	12.0358
Area:	651.47
Solvation:	-4.25091
Coulombic:	-34.3174

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	407.504
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.11
LogP (Chemaxon):	6.21

Name Annotations

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

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