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Chemical ID: 5937854

Chemical ID:

5937854

Name [?]:

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

SMILES [?]:

CCCCN(Cc1cccn1Cc2ccccc2C)C(=O)C3CCC3

InChi [?]:

InChI=1/C22H30N2O/c1-3-4-14-24(22(25)19-11-7-12-19)17-21-13-8-15-23(21)16-20-10-6-5-9-18(20)2/h5-6,8-10,13,15,19H,3-4,7,11-12,14,16-17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,2,3,16,15,24,9,17,14,23,25,8,4,10,12,6,18,22,13,7,20,11,5,21/E:(11,12)/rA:25nCCCCNCCCCCNCCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s5;d20;s20;s22;s23;s22s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₃₀N₂O
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5225
Area:	570.299
Solvation:	-2.73501
Coulombic:	-23.9795

Bond Count [?]

All:	27
Single:	21
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	338.486
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.95
LogP (Chemaxon):	4.79

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