Chemical ID: 4556568

Cc1cc(cc(c1)CC(C)CC(=O)NCCc2ccc(c(c2)OC)OC)C
Chemical ID:
4556568
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,5-dimethylphenyl)-3-methyl-butanamide
SMILES [?]:
Cc1cc(cc(c1)CC(C)CC(=O)NCCc2ccc(c(c2)OC)OC)C
InChi [?]:
InChI=1/C23H31NO3/c1-16-10-17(2)12-20(11-16)13-18(3)14-23(25)24-9-8-19-6-7-21(26-4)22(15-19)27-5/h6-7,10-12,15,18H,8-9,13-14H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,10,26,24,18,19,16,15,3,7,5,8,11,22,2,4,9,17,6,20,21,12,14,13,25,23/E:(1,2)(11,12)(16,17)/rA:27cCCCCCCCCCCCCONCCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.1411
Area:641.168
Solvation:-5.88805
Coulombic:-36.0198
Bond Count [?]
All:28
Single:21
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:369.497
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.79
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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