Chemical ID: 5757925

CCOC(=O)CC1C(=O)N2CCc3ccccc3C2CN1
Chemical ID:
5757925
Name [?]:
None
SMILES [?]:
CCOC(=O)CC1C(=O)N2CCc3ccccc3C2CN1
InChi [?]:
InChI=1/C16H20N2O3/c1-2-21-15(19)9-13-16(20)18-8-7-11-5-3-4-6-12(11)14(18)10-17-13/h3-6,13-14,17H,2,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,12,11,6,20,13,18,7,19,4,8,21,10,5,9,3/rA:21cCCOCOCCCONCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;s19;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.86175
Area:474.323
Solvation:-2.99633
Coulombic:-43.8437
Bond Count [?]
All:23
Single:18
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:288.342
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.97
LogP (Chemaxon):0.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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