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Chemical ID: 5510195
Chemical ID:
5510195
Name [?]:
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES [?]:
CCN1CCCC1CNCC(=O)NCc2ccccc2OC
InChi [?]:
InChI=1/C17H27N3O2/c1-3-20-10-6-8-15(20)12-18-13-17(21)19-11-14-7-4-5-9-16(14)22-2/h4-5,7,9,15,18H,3,6,8,10-13H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,18,5,16,6,19,4,14,8,10,15,7,20,11,9,13,3,12,21/rA:22cCCNCCCCCNCCONCCCCCCCOC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.24912 |
Area: | 545.109 |
Solvation: | -4.37862 |
Coulombic: | -41.9543 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 305.415 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.44 |
LogP (Chemaxon): | 0.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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