Chemical ID: 4754469

Cc1ccc(cc1)C(=O)NC2CCCCNC2=O
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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