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Chemical ID: 6941075

Chemical ID:

6941075

Name [?]:

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyl-acetamide

SMILES [?]:

CC(c1cc(ccc1OC)OC)NC(=O)Cc2ccccc2

InChi [?]:

InChI=1/C18H21NO3/c1-13(16-12-15(21-2)9-10-17(16)22-3)19-18(20)11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,12,10,20,19,21,18,22,6,7,16,4,2,17,5,3,8,14,13,15,11,9/E:(5,6)(7,8)/rA:22cCCCCCCCCOCOCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s5;s11;s2;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁NO₃
All Atoms:	43
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	7.96875
Area:	519.048
Solvation:	-5.00744
Coulombic:	-35.8886

Bond Count [?]

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

Chemical Properties

Molecular Weight:	299.364
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.31
LogP (Chemaxon):	2.74

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