Chemical ID: 4228634

CCCC(C)C(=O)Nc1ccccc1C(C)C
Chemical ID:
4228634
Name [?]:
N-(2-isopropylphenyl)-2-methyl-pentanamide
SMILES [?]:
CCCC(C)C(=O)Nc1ccccc1C(C)C
InChi [?]:
InChI=1/C15H23NO/c1-5-8-12(4)15(17)16-14-10-7-6-9-13(14)11(2)3/h6-7,9-12H,5,8H2,1-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,17,5,2,12,11,3,13,10,15,4,14,9,6,8,7/E:(2,3)/rA:17cCCCCCCONCCCCCCCCC/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.61007
Area:450.271
Solvation:-1.64672
Coulombic:-22.6354
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:233.349
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.15
LogP (Chemaxon):3.9

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Descriptor Annotations

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