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Chemical ID: 7275464

Chemical ID:

7275464

Name [?]:

3-(1H-indol-3-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide

SMILES [?]:

c1ccc2c(c1)c(c[nH]2)CCC(=O)NCC3CCCO3

InChi [?]:

InChI=1/C16H20N2O2/c19-16(18-11-13-4-3-9-20-13)8-7-12-10-17-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,17H,3-4,7-9,11H2,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,2,18,17,6,3,10,11,19,8,15,7,16,5,4,12,9,14,13,20/rA:20cCCCCCCCCNCCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₀N₂O₂
All Atoms:	40
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	8.70852
Area:	490.98
Solvation:	-3.56598
Coulombic:	-39.4446

Bond Count [?]

All:	22
Single:	17
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	272.342
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.83
LogP (Chemaxon):	2.09

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value