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Chemical ID: 5937911
Chemical ID:
5937911
Name [?]:
N-(3-methoxypropyl)-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]propanamide
SMILES [?]:
CCC(=O)N(CCCOC)Cc1cccn1Cc2ccccc2C
InChi [?]:
InChI=1/C20H28N2O2/c1-4-20(23)22(13-8-14-24-3)16-19-11-7-12-21(19)15-18-10-6-5-9-17(18)2/h5-7,9-12H,4,8,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,10,2,21,20,14,7,22,19,13,15,6,8,17,11,23,18,12,3,16,5,4,9/rA:24nCCCONCCCOCCCCCCNCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s5;s11;d12;s13;d14;s12s15;s16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0159 |
Area: | 567.884 |
Solvation: | -4.18124 |
Coulombic: | -30.2519 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 328.449 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.24 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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