Chemical ID: 6444472

CC1CCC(C(C1)C(=O)NCCc2ccc(c(c2)OC)OC)C(C)C
Chemical ID:
6444472
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-isopropyl-5-methyl-cyclohexane-1-carboxamide
SMILES [?]:
CC1CCC(C(C1)C(=O)NCCc2ccc(c(c2)OC)OC)C(C)C
InChi [?]:
InChI=1/C21H33NO3/c1-14(2)17-8-6-15(3)12-18(17)21(23)22-11-10-16-7-9-19(24-4)20(13-16)25-5/h7,9,13-15,17-18H,6,8,10-12H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:24,25,1,22,20,3,14,4,15,12,11,7,18,23,2,13,5,6,16,17,8,10,9,21,19/E:(1,2)/rA:25cCCCCCCCCONCCCCCCCCOCOCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s5;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H33NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:9.45353
Area:587.506
Solvation:-5.23411
Coulombic:-36.8302
Bond Count [?]
All:26
Single:22
Double:4
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:347.492
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.15
LogP (Chemaxon):4.0

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Descriptor Annotations

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