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Chemical ID: 7119963

Chemical ID:

7119963

Name [?]:

N-(2-methoxy-5-methyl-phenyl)-3-(2,3,4,5-tetrahydropyrrol-1-yl)propanamide

SMILES [?]:

Cc1ccc(c(c1)NC(=O)CC[NH+]2CCCC2)OC

InChi [?]:

InChI=1/C15H22N2O2/c1-12-5-6-14(19-2)13(11-12)16-15(18)7-10-17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)/p+1

InChi Info:

AuxInfo=1/1/N:1,19,15,16,3,4,11,14,17,12,7,2,6,5,9,8,13,10,18/E:(3,4)(8,9)/rA:19nCCCCCCCNCOCCN+CCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s13s16;s5;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃N₂O₂₊
All Atoms:	42
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	-21.3068
Area:	472.305
Solvation:	-33.1144
Coulombic:	2.88537

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	263.355
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.82
LogP (Chemaxon):	1.96

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