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Chemical ID: 6363368
Chemical ID:
6363368
Name [?]:
2,2-dimethyl-N-sec-butyl-propanamide
SMILES [?]:
CCC(C)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C9H19NO/c1-6-7(2)10-8(11)9(3,4)5/h7H,6H2,1-5H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,4,9,10,11,2,3,6,8,5,7/E:(3,4,5)/rA:11cCCCCNCOCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s8;s8;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H19NO |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.22146 |
Area: | 340.9 |
Solvation: | -1.30104 |
Coulombic: | -21.9024 |
Bond Count [?]
All: | 10 |
Single: | 9 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 157.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.7 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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