Chemical ID: 4331991

CCC(=O)N(CCC(c1ccccc1)C2CCOC(C2)(C)C)Cc3ccc(cc3)OC
Chemical ID:
4331991
Name [?]:
N-[3-(2,2-dimethyltetrahydropyran-4-yl)-3-phenyl-propyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILES [?]:
CCC(=O)N(CCC(c1ccccc1)C2CCOC(C2)(C)C)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C27H37NO3/c1-5-26(29)28(20-21-11-13-24(30-4)14-12-21)17-15-25(22-9-7-6-8-10-22)23-16-18-31-27(2,3)19-23/h6-14,23,25H,5,15-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,22,31,2,12,11,13,10,14,25,29,26,28,7,16,6,17,20,23,24,9,15,27,8,3,19,5,4,30,18/E:(2,3)(7,8)(9,10)(11,12)(13,14)/rA:31cCCCONCCCCCCCCCCCCOCCCCCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s8;s15;s16;s17;s18;s15s19;s19;s19;s5;s23;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H37NO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:11.4696
Area:669.684
Solvation:-5.27253
Coulombic:-33.5475
Bond Count [?]
All:33
Single:26
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:423.588
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.25
LogP (Chemaxon):4.63

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Descriptor Annotations

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