Chemical ID: 5510195

CCN1CCCC1CNCC(=O)NCc2ccccc2OC
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

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Descriptor Annotations

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