Chemical ID: 4565978

CCCCCCN1CC(=O)N2Cc3c(c4ccccc4[nH]3)CC2C1=O
Chemical ID:
4565978
Name [?]:
None
SMILES [?]:
CCCCCCN1CC(=O)N2Cc3c(c4ccccc4[nH]3)CC2C1=O
InChi [?]:
InChI=1/C20H25N3O2/c1-2-3-4-7-10-22-13-19(24)23-12-17-15(11-18(23)20(22)25)14-8-5-6-9-16(14)21-17/h5-6,8-9,18,21H,2-4,7,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,17,18,5,16,19,6,22,12,8,15,14,20,13,23,9,24,21,7,11,10,25/rA:25cCCCCCCNCCONCCCCCCCCCNCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;s13s20;s14;s11s22;s7s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.1615
Area:557.127
Solvation:-2.76666
Coulombic:-45.9406
Bond Count [?]
All:28
Single:22
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.432
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.86
LogP (Chemaxon):2.46

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Descriptor Annotations

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