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Chemical ID: 5937896

Chemical ID:

5937896

Name [?]:

N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-N-pentyl-cyclobutanecarboxamide

SMILES [?]:

CCCCCN(Cc1cccn1Cc2ccccc2C)C(=O)C3CCC3

InChi [?]:

InChI=1/C23H32N2O/c1-3-4-7-15-25(23(26)20-12-8-13-20)18-22-14-9-16-24(22)17-21-11-6-5-10-19(21)2/h5-6,9-11,14,16,20H,3-4,7-8,12-13,15,17-18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,2,3,17,16,4,25,10,18,15,24,26,9,5,11,13,7,19,23,14,8,21,12,6,22/E:(12,13)/rA:26nCCCCCNCCCCCNCCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s6;d21;s21;s23;s24;s23s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₂N₂O
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1986
Area:	597.153
Solvation:	-2.73025
Coulombic:	-24.2846

Bond Count [?]

All:	28
Single:	22
Double:	6
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	352.513
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.51
LogP (Chemaxon):	5.18

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