Chemical ID: 4244967

CC(C)(C)CC(=O)Nc1ccccc1C(C)(C)C
Chemical ID:
4244967
Name [?]:
3,3-dimethyl-N-(2-tert-butylphenyl)-butanamide
SMILES [?]:
CC(C)(C)CC(=O)Nc1ccccc1C(C)(C)C
InChi [?]:
InChI=1/C16H25NO/c1-15(2,3)11-14(18)17-13-10-8-7-9-12(13)16(4,5)6/h7-10H,11H2,1-6H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,18,12,11,13,10,5,14,9,6,2,15,8,7/E:(1,2,3)(4,5,6)/rA:18nCCCCCCONCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.56401
Area:440.95
Solvation:-1.45973
Coulombic:-22.7393
Bond Count [?]
All:18
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.376
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.82
LogP (Chemaxon):4.14

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Descriptor Annotations

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