Chemical ID: 4156118

Cc1cccc(c1)OCCCC(=O)Nc2cc(ccc2OC)C
Chemical ID:
4156118
Name [?]:
N-(2-methoxy-5-methyl-phenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2cc(ccc2OC)C
InChi [?]:
InChI=1/C19H23NO3/c1-14-6-4-7-16(12-14)23-11-5-8-19(21)20-17-13-15(2)9-10-18(17)22-3/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,4,10,3,5,11,18,19,9,7,16,2,17,6,15,20,12,14,13,21,8/rA:23nCCCCCCCOCCCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.25097
Area:554.315
Solvation:-4.6069
Coulombic:-35.7647
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:313.391
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.98
LogP (Chemaxon):3.99

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Descriptor Annotations

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