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Chemical ID: 6460182

Chemical ID:

6460182

Name [?]:

N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-acetamide

SMILES [?]:

CCOc1ccc(cc1OCC)C(C)NC(=O)Cc2ccccc2

InChi [?]:

InChI=1/C20H25NO3/c1-4-23-18-12-11-17(14-19(18)24-5-2)15(3)21-20(22)13-16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,12,14,2,11,22,21,23,20,24,6,5,18,8,13,19,7,4,9,16,15,17,3,10/E:(7,8)(9,10)/rA:24cCCOCCCCCCOCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s13;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	8.81802
Area:	579.612
Solvation:	-5.67227
Coulombic:	-36.3368

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	327.417
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.88
LogP (Chemaxon):	3.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value