Chemical ID: 4567983

Cc1ccc(cc1)C2(CCOC(C2)C(C)C)CC(=O)NCc3ccc(cc3)OC(C)C
Chemical ID:
4567983
Name [?]:
N-[(4-isopropoxyphenyl)methyl]-2-[2-isopropyl-4-(p-tolyl)tetrahydropyran-4-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)C2(CCOC(C2)C(C)C)CC(=O)NCc3ccc(cc3)OC(C)C
InChi [?]:
InChI=1/C27H37NO3/c1-19(2)25-16-27(14-15-30-25,23-10-6-21(5)7-11-23)17-26(29)28-18-22-8-12-24(13-9-22)31-20(3)4/h6-13,19-20,25H,14-18H2,1-5H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:15,16,30,31,1,3,7,23,27,4,6,24,26,9,10,13,17,21,14,29,2,22,5,25,12,18,8,20,19,11,28/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:31cCCCCCCCCCCOCCCCCCCONCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s8s12;s12;s14;s14;s8;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H37NO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:12.7577
Area:688.442
Solvation:-4.45338
Coulombic:-38.579
Bond Count [?]
All:33
Single:26
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:423.588
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.43
LogP (Chemaxon):5.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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