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Chemical ID: 4206265

Chemical ID:

4206265

Name [?]:

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenyl-butanamide

SMILES [?]:

COc1ccc(cc1OC)CCNC(=O)CCCc2ccccc2

InChi [?]:

InChI=1/C20H25NO3/c1-23-18-12-11-17(15-19(18)24-2)13-14-21-20(22)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,10,22,21,23,17,20,24,18,16,5,4,11,12,7,19,6,3,8,14,13,15,2,9/E:(4,5)(7,8)/rA:24nCOCCCCCCOCCCNCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.88012
Area:	590.844
Solvation:	-5.89099
Coulombic:	-36.1674

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	327.417
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.41
LogP (Chemaxon):	3.37

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value