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Chemical ID: 6473312
Chemical ID:
6473312
Name [?]:
3-phenyl-N-(1-tetralin-2-ylethyl)propanamide
SMILES [?]:
CC(c1ccc2c(c1)CCCC2)NC(=O)CCc3ccccc3
InChi [?]:
InChI=1/C21H25NO/c1-16(19-13-12-18-9-5-6-10-20(18)15-19)22-21(23)14-11-17-7-3-2-4-8-17/h2-4,7-8,12-13,15-16H,5-6,9-11,14H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,11,10,19,23,12,9,17,5,4,16,8,2,18,6,3,7,14,13,15/E:(3,4)(7,8)/rA:23cCCCCCCCCCCCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s6s11;s2;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5851 |
Area: | 545.312 |
Solvation: | -2.04768 |
Coulombic: | -23.6658 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 307.429 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.11 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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