Chemical ID: 4952272

CC(C)(C)CC(C)(C)NC(=O)C=C
Chemical ID:
4952272
Name [?]:
N-(1,1,3,3-tetramethylbutyl)prop-2-enamide
SMILES [?]:
CC(C)(C)CC(C)(C)NC(=O)C=C
InChi [?]:
InChI=1/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:13,1,3,4,7,8,12,5,10,2,6,9,11/E:(2,3,4)(5,6)/rA:13nCCCCCCCCNCOCC/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;d10;s10;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H21NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.76509
Area:359.267
Solvation:-1.21658
Coulombic:-23.6176
Bond Count [?]
All:12
Single:10
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:183.291
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.34
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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