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Chemical ID: 6721906

Chemical ID:

6721906

Name [?]:

N-[(4-ethylphenyl)methyl]-3-(1-methylindol-3-yl)-propanamide

SMILES [?]:

CCc1ccc(cc1)CNC(=O)CCc2cn(c3c2cccc3)C

InChi [?]:

InChI=1/C21H24N2O/c1-3-16-8-10-17(11-9-16)14-22-21(24)13-12-18-15-23(2)20-7-5-4-6-19(18)20/h4-11,15H,3,12-14H2,1-2H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,24,2,21,22,20,23,4,8,5,7,14,13,9,16,3,6,15,19,18,11,10,17,12/E:(8,9)(10,11)/rA:24nCCCCCCCCCNCOCCCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;s17;s15s18;d19;s20;d21;d18s22;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₄N₂O
All Atoms:	48
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8444
Area:	576.444
Solvation:	-2.56672
Coulombic:	-28.4935

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	320.428
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.39
LogP (Chemaxon):	4.74

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