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Chemical ID: 5044398
Chemical ID:
5044398
Name [?]:
3-oxo-N,N-dipropyl-butanamide
SMILES [?]:
CCCN(CCC)C(=O)CC(=O)C
InChi [?]:
InChI=1/C10H19NO2/c1-4-6-11(7-5-2)10(13)8-9(3)12/h4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,13,2,6,3,5,10,11,8,4,12,9/E:(1,2)(4,5)(6,7)/rA:13nCCCNCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.5328 |
Area: | 387.453 |
Solvation: | -4.15351 |
Coulombic: | -19.9455 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 185.263 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.46 |
LogP (Chemaxon): | 1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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