Chemical ID: 4243280

CC(C)Oc1ccc(cc1)C(CC(=O)NC2CCOC(C2)(C)C)c3ccccc3
Chemical ID:
4243280
Name [?]:
N-(2,2-dimethyltetrahydropyran-4-yl)-3-(4-isopropoxyphenyl)-3-phenyl-propanamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(CC(=O)NC2CCOC(C2)(C)C)c3ccccc3
InChi [?]:
InChI=1/C25H33NO3/c1-18(2)29-22-12-10-20(11-13-22)23(19-8-6-5-7-9-19)16-24(27)26-21-14-15-28-25(3,4)17-21/h5-13,18,21,23H,14-17H2,1-4H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,27,26,28,25,29,7,9,6,10,17,18,12,21,2,24,8,16,5,11,13,20,15,14,19,4/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:29cCCCOCCCCCCCCCONCCCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;s17;s18;s19;s16s20;s20;s20;s11;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H33NO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.3128
Area:644.706
Solvation:-4.80489
Coulombic:-37.8689
Bond Count [?]
All:31
Single:24
Double:7
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.534
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.93
LogP (Chemaxon):3.83

Name Annotations

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Descriptor Annotations

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