Chemical ID: 4565342

CCOCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2(C)C
Chemical ID:
4565342
Name [?]:
None
SMILES [?]:
CCOCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2(C)C
InChi [?]:
InChI=1/C21H27N3O3/c1-4-27-11-7-10-23-13-18(25)24-17(20(23)26)12-15-14-8-5-6-9-16(14)22-19(15)21(24,2)3/h5-6,8-9,17,22H,4,7,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,2,19,20,5,18,21,6,4,15,8,17,16,22,12,9,24,13,25,23,7,11,10,14,3/E:(2,3)/rA:27cCCOCCCNCCONCCOCCCCCCCCNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s7s12;d13;s12;s15;s16;s17;d18;s19;d20;d17s21;s22;d16s23;s11s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.1952
Area:578.105
Solvation:-4.25738
Coulombic:-52.7166
Bond Count [?]
All:30
Single:24
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:369.457
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.6
LogP (Chemaxon):1.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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