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Chemical ID: 4754469
Chemical ID:
4754469
Name [?]:
4-methyl-N-(2-oxoazepan-3-yl)-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC2CCCCNC2=O
InChi [?]:
InChI=1/C14H18N2O2/c1-10-5-7-11(8-6-10)13(17)16-12-4-2-3-9-15-14(12)18/h5-8,12H,2-4,9H2,1H3,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,3,7,4,6,15,2,5,11,8,17,16,10,9,18/E:(5,6)(7,8)/rA:18cCCCCCCCCONCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s11s16;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.05175 |
Area: | 434.844 |
Solvation: | -2.81935 |
Coulombic: | -43.989 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 246.305 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.43 |
LogP (Chemaxon): | 1.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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