Chemical ID: 4409785

Cc1ccccc1OCCCC(=O)Nc2ccccc2C(C)C
Chemical ID:
4409785
Name [?]:
N-(2-isopropylphenyl)-4-(2-methylphenoxy)-butanamide
SMILES [?]:
Cc1ccccc1OCCCC(=O)Nc2ccccc2C(C)C
InChi [?]:
InChI=1/C20H25NO2/c1-15(2)17-10-5-6-11-18(17)21-20(22)13-8-14-23-19-12-7-4-9-16(19)3/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:22,23,1,4,18,17,5,10,3,19,16,6,11,9,21,2,20,15,7,12,14,13,8/E:(1,2)/rA:23nCCCCCCCOCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3172
Area:556.395
Solvation:-3.59263
Coulombic:-29.2545
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:311.418
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.61
LogP (Chemaxon):4.32

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Descriptor Annotations

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