Chemical ID: 4574043

CCC(=O)N(CCC1(CCOC(C1)(C)C)C(C)C)Cc2ccc3c(c2)OCO3
Chemical ID:
4574043
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-N-[2-(4-isopropyl-2,2-dimethyl-tetrahydropyran-4-yl)ethyl]propanamide
SMILES [?]:
CCC(=O)N(CCC1(CCOC(C1)(C)C)C(C)C)Cc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C23H35NO4/c1-6-21(25)24(14-18-7-8-19-20(13-18)27-16-26-19)11-9-23(17(2)3)10-12-28-22(4,5)15-23/h7-8,13,17H,6,9-12,14-16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,17,18,14,15,2,21,22,7,9,6,10,25,19,13,27,16,20,23,24,3,12,8,5,4,28,26,11/E:(2,3)(4,5)/rA:28cCCCONCCCCCOCCCCCCCCCCCCCCOCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s8s12;s12;s12;s8;s16;s16;s5;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H35NO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.81184
Area:591.809
Solvation:-4.98338
Coulombic:-41.1441
Bond Count [?]
All:30
Single:26
Double:4
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:389.528
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.04
LogP (Chemaxon):3.78

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Descriptor Annotations

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