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Chemical ID: 7305859

Chemical ID:

7305859

Name [?]:

N-butyl-3-(1H-indol-3-yl)propanamide

SMILES [?]:

CCCCNC(=O)CCc1c[nH]c2c1cccc2

InChi [?]:

InChI=1/C15H20N2O/c1-2-3-10-16-15(18)9-8-12-11-17-14-7-5-4-6-13(12)14/h4-7,11,17H,2-3,8-10H2,1H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,2,3,16,17,15,18,9,8,4,11,10,14,13,6,5,12,7/rA:18nCCCCNCOCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;s12;s10s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₀N₂O
All Atoms:	38
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	9.62177
Area:	472.563
Solvation:	-2.19232
Coulombic:	-32.4834

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	244.332
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.83
LogP (Chemaxon):	3.06

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