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Chemical ID: 7285128

Chemical ID:

7285128

Name [?]:

N-benzyl-N-ethyl-2-(1H-indol-3-yl)acetamide

SMILES [?]:

CCN(Cc1ccccc1)C(=O)Cc2c[nH]c3c2cccc3

InChi [?]:

InChI=1/C19H20N2O/c1-2-21(14-15-8-4-3-5-9-15)19(22)12-16-13-20-18-11-7-6-10-17(16)18/h3-11,13,20H,2,12,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,8,7,9,20,21,6,10,19,22,13,15,4,5,14,18,17,11,16,3,12/E:(4,5)(8,9)/rA:22nCCNCCCCCCCCOCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;d14;s15;s16;s14s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀N₂O
All Atoms:	42
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.57327
Area:	498.533
Solvation:	-2.89005
Coulombic:	-28.6113

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	292.375
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.59
LogP (Chemaxon):	3.83

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