Chemical ID: 4511430

CC(C)COc1ccc(cc1)C(=O)NC(C)(C)CO
Chemical ID:
4511430
Name [?]:
N-(2-hydroxy-1,1-dimethyl-ethyl)-4-isobutoxy-benzamide
SMILES [?]:
CC(C)COc1ccc(cc1)C(=O)NC(C)(C)CO
InChi [?]:
InChI=1/C15H23NO3/c1-11(2)9-19-13-7-5-12(6-8-13)14(18)16-15(3,4)10-17/h5-8,11,17H,9-10H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,8,10,7,11,4,18,2,9,6,12,15,14,19,13,5/E:(1,2)(3,4)(5,6)(7,8)/rA:19nCCCCOCCCCCCCONCCCCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s15;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.35028
Area:483.675
Solvation:-3.74161
Coulombic:-47.1597
Bond Count [?]
All:19
Single:15
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:265.348
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.59
LogP (Chemaxon):1.95

Name Annotations

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Descriptor Annotations

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