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Chemical ID: 6399887
Chemical ID:
6399887
Name [?]:
2-phenyl-N,N-dipropyl-acetamide
SMILES [?]:
CCCN(CCC)C(=O)Cc1ccccc1
InChi [?]:
InChI=1/C14H21NO/c1-3-10-15(11-4-2)14(16)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,14,13,15,12,16,3,5,10,11,8,4,9/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:16nCCCNCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82904 |
Area: | 436.916 |
Solvation: | -2.09385 |
Coulombic: | -17.9119 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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