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Chemical ID: 6157477
Chemical ID:
6157477
Name [?]:
N-butyl-2-ethyl-butanamide
SMILES [?]:
CCCCNC(=O)C(CC)CC
InChi [?]:
InChI=1/C10H21NO/c1-4-7-8-11-10(12)9(5-2)6-3/h9H,4-8H2,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,10,12,2,9,11,3,4,8,6,5,7/E:(2,3)(5,6)/rA:12nCCCCNCOCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s8;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H21NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.23355 |
Area: | 382.853 |
Solvation: | -1.33778 |
Coulombic: | -22.2888 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 171.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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