Chemical ID: 4202813

COc1ccc(c(c1)OC)NC(=O)CCN2CCCCCC2
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

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Descriptor Annotations

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