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Chemical ID: 3941305

Chemical ID:

3941305

Name [?]:

N'-isopropyl-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide

SMILES [?]:

CC(C)NC(=O)C1CCCN1C(=O)Nc2cccc(c2)OC

InChi [?]:

InChI=1/C16H23N3O3/c1-11(2)17-15(20)14-8-5-9-19(14)16(21)18-12-6-4-7-13(10-12)22-3/h4,6-7,10-11,14H,5,8-9H2,1-3H3,(H,17,20)(H,18,21)

InChi Info:

AuxInfo=1/1/N:1,3,22,17,9,16,18,8,10,20,2,15,19,7,5,12,4,14,11,6,13,21/E:(1,2)/rA:22cCCCNCOCCCCNCONCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₃N₃O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	8.04471
Area:	515.083
Solvation:	-4.83236
Coulombic:	-57.3968

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	305.372
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	1.64
LogP (Chemaxon):	1.54

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