Chemical ID: 7378558

CC(C)c1ccccc1OCC(CN(CCOC)CCOC)O
Chemical ID:
7378558
Name [?]:
1-[bis(2-methoxyethyl)amino]-3-(2-isopropylphenoxy)-propan-2-ol
SMILES [?]:
CC(C)c1ccccc1OCC(CN(CCOC)CCOC)O
InChi [?]:
InChI=1/C18H31NO4/c1-15(2)17-7-5-6-8-18(17)23-14-16(20)13-19(9-11-21-3)10-12-22-4/h5-8,15-16,20H,9-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,18,22,6,7,5,8,15,19,16,20,13,11,2,12,4,9,14,23,17,21,10/E:(1,2)(3,4)(9,10)(11,12)(21,22)/rA:23cCCCCCCCCCOCCCNCCOCCCOCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14;s19;s20;s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31NO4
All Atoms:54
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:5.30316
Area:579.317
Solvation:-9.17975
Coulombic:-42.7647
Bond Count [?]
All:23
Single:20
Double:3
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:325.443
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.93
LogP (Chemaxon):2.26

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Descriptor Annotations

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