Chemical ID: 6935764

CCC(C)C(=O)Nc1c(cc(cc1C)C)C
Chemical ID:
6935764
Name [?]:
2-methyl-N-(2,4,6-trimethylphenyl)-butanamide
SMILES [?]:
CCC(C)C(=O)Nc1c(cc(cc1C)C)C
InChi [?]:
InChI=1/C14H21NO/c1-6-10(3)14(16)15-13-11(4)7-9(2)8-12(13)5/h7-8,10H,6H2,1-5H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,15,4,14,16,2,12,10,11,3,13,9,8,5,7,6/E:(4,5)(7,8)(11,12)/rA:16cCCCCCONCCCCCCCCC/rB:s1;s2;s3;s3;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;s9;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO
All Atoms:37
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.56313
Area:413.195
Solvation:-1.76673
Coulombic:-21.035
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.323
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.28
LogP (Chemaxon):3.06

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Descriptor Annotations

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