Chemical ID: 6661953

Cc1ccccc1OCCN(CC(C)O)C(=O)C
Chemical ID:
6661953
Name [?]:
N-(2-hydroxypropyl)-N-[2-(2-methylphenoxy)ethyl]acetamide
SMILES [?]:
Cc1ccccc1OCCN(CC(C)O)C(=O)C
InChi [?]:
InChI=1/C14H21NO3/c1-11-6-4-5-7-14(11)18-9-8-15(13(3)17)10-12(2)16/h4-7,12,16H,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,18,4,5,3,6,10,9,12,2,13,16,7,11,15,17,8/rA:18cCCCCCCCOCCNCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s13;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.66335
Area:445.343
Solvation:-4.47022
Coulombic:-39.4113
Bond Count [?]
All:18
Single:14
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:251.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.56
LogP (Chemaxon):1.51

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