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Chemical ID: 4202813
Chemical ID:
4202813
Name [?]:
3-azepan-1-yl-N-(2,4-dimethoxyphenyl)-propanamide
SMILES [?]:
COc1ccc(c(c1)OC)NC(=O)CCN2CCCCCC2
InChi [?]:
InChI=1/C17H26N2O3/c1-21-14-7-8-15(16(13-14)22-2)18-17(20)9-12-19-10-5-3-4-6-11-19/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,10,19,20,18,21,4,5,14,17,22,15,8,3,6,7,12,11,16,13,2,9/E:(3,4)(5,6)(10,11)/rA:22nCOCCCCCCOCNCOCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;s15;s16;s17;s18;s19;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.79735 |
Area: | 518.482 |
Solvation: | -4.1647 |
Coulombic: | -39.6509 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 306.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.01 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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