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Chemical ID: 4211990
Chemical ID:
4211990
Name [?]:
N'-cycloheptyl-N-(3-pyridylmethyl)oxamide
SMILES [?]:
c1cc(cnc1)CNC(=O)C(=O)NC2CCCCCC2
InChi [?]:
InChI=1/C15H21N3O2/c19-14(17-11-12-6-5-9-16-10-12)15(20)18-13-7-3-1-2-4-8-13/h5-6,9-10,13H,1-4,7-8,11H2,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:17,18,16,19,1,2,15,20,6,4,7,3,14,9,11,5,8,13,10,12/E:(1,2)(3,4)(7,8)/rA:20nCCCCNCCNCOCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N3O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92443 |
Area: | 490.901 |
Solvation: | -2.34811 |
Coulombic: | -52.3372 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.346 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.75 |
LogP (Chemaxon): | 0.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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