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Chemical ID: 4905336
Chemical ID:
4905336
Name [?]:
N-carbamoyl-2-ethyl-3-methyl-pentanamide
SMILES [?]:
CCC(C)C(CC)C(=O)NC(=O)N
InChi [?]:
InChI=1/C9H18N2O2/c1-4-6(3)7(5-2)8(12)11-9(10)13/h6-7H,4-5H2,1-3H3,(H3,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,7,4,2,6,3,5,8,11,13,10,9,12/rA:13cCCCCCCCCONCON/rB:s1;s2;s3;s3;s5;s6;s5;d8;s8;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.85054 |
Area: | 364.42 |
Solvation: | -3.25997 |
Coulombic: | -46.0311 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 186.251 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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