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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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Experimental Annotations
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Descriptor Annotations
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