Chemical ID: 6358469

CCOc1ccc(cc1)NC(=O)C(C)(C)C
Chemical ID:
6358469
Name [?]:
N-(4-ethoxyphenyl)-2,2-dimethyl-propanamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C13H19NO2/c1-5-16-11-8-6-10(7-9-11)14-12(15)13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,15,16,2,6,8,5,9,7,4,11,13,10,12,3/E:(2,3,4)(6,7)(8,9)/rA:16nCCOCCCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.7248
Area:420.032
Solvation:-2.776
Coulombic:-28.4557
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.36
LogP (Chemaxon):3.32

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Descriptor Annotations

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