Chemical ID: 6948453

CCC(C)c1ccccc1NC(=O)C(C)(C)C
Chemical ID:
6948453
Name [?]:
2,2-dimethyl-N-(2-sec-butylphenyl)-propanamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C15H23NO/c1-6-11(2)12-9-7-8-10-13(12)16-14(17)15(3,4)5/h7-11H,6H2,1-5H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,15,16,17,2,7,8,6,9,3,5,10,12,14,11,13/E:(3,4,5)/rA:17cCCCCCCCCCCNCOCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO
All Atoms:40
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.36886
Area:438.584
Solvation:-1.59575
Coulombic:-22.8935
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:233.349
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.79
LogP (Chemaxon):4.17

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Descriptor Annotations

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