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Chemical ID: 6948406
Chemical ID:
6948406
Name [?]:
N-(2-sec-butylphenyl)acetamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)C
InChi [?]:
InChI=1/C12H17NO/c1-4-9(2)11-7-5-6-8-12(11)13-10(3)14/h5-9H,4H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,14,2,7,8,6,9,3,12,5,10,11,13/rA:14cCCCCCCCCCCNCOC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO |
All Atoms: | 31 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.68553 |
Area: | 380.989 |
Solvation: | -1.8392 |
Coulombic: | -20.9475 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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