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Chemical ID: 4409785
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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