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Chemical ID: 5936295
Chemical ID:
5936295
Name [?]:
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenyl-propanamide
SMILES [?]:
CCCCN(Cc1cccn1Cc2ccccc2)C(=O)CCc3ccccc3
InChi [?]:
InChI=1/C25H30N2O/c1-2-3-18-27(25(28)17-16-22-11-6-4-7-12-22)21-24-15-10-19-26(24)20-23-13-8-5-9-14-23/h4-15,19H,2-3,16-18,20-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,26,16,25,27,15,17,9,24,28,14,18,8,22,21,4,10,12,6,23,13,7,19,11,5,20/E:(6,7)(8,9)(11,12)(13,14)/rA:28nCCCCNCCCCCNCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s11;s12;s13;d14;s15;d16;d13s17;s5;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2008 |
Area: | 649.707 |
Solvation: | -3.04185 |
Coulombic: | -25.3493 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.519 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.43 |
LogP (Chemaxon): | 5.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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