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Chemical ID: 3944936

Chemical ID:

3944936

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C18H27N3O3/c1-13(2)9-10-19-17(22)16-8-5-11-21(16)18(23)20-14-6-4-7-15(12-14)24-3/h4,6-7,12-13,16H,5,8-11H2,1-3H3,(H,19,22)(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,3,24,19,11,18,20,10,4,5,12,22,2,17,21,9,7,14,6,16,13,8,15,23/E:(1,2)/rA:24cCCCCCNCOCCCCNCONCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₇N₃O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	9.41356
Area:	571.967
Solvation:	-4.88562
Coulombic:	-58.2296

Bond Count [?]

All:	25
Single:	20
Double:	5
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	333.425
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.61
LogP (Chemaxon):	2.32

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