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Chemical ID: 4953911

Chemical ID:

4953911

Name [?]:

N-(2-ethylpent-4-enoyl)-3,4-dihydro-2H-quinoline-1-carboxamide

SMILES [?]:

CCC(CC=C)C(=O)NC(=O)N1CCCc2c1cccc2

InChi [?]:

InChI=1/C17H22N2O2/c1-3-8-13(4-2)16(20)18-17(21)19-12-7-10-14-9-5-6-11-15(14)19/h3,5-6,9,11,13H,1,4,7-8,10,12H2,2H3,(H,18,20,21)

InChi Info:

AuxInfo=1/1/N:6,1,5,2,20,19,14,4,21,15,18,13,3,16,17,7,10,9,12,8,11/rA:21cCCCCCCCONCONCCCCCCCCC/rB:s1;s2;s3;s4;d5;s3;d7;s7;s9;d10;s10;s12;s13;s14;s15;s12s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₂N₂O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	8.71643
Area:	487.681
Solvation:	-3.47558
Coulombic:	-39.4894

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	286.369
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.6
LogP (Chemaxon):	3.41

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