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Chemical ID: 6388731
Chemical ID:
6388731
Name [?]:
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
SMILES [?]:
c1ccc(cc1)CCCNC(=O)Cc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H18N2O3/c20-17(13-15-8-10-16(11-9-15)19(21)22)18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,5,7,15,19,16,18,9,13,4,14,17,11,10,20,12,21,22/E:(2,3)(5,6)(8,9)(10,11)(21,22)/CRV:19.5/rA:22nCCCCCCCCCNCOCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.66996 |
Area: | 538.85 |
Solvation: | -7.80129 |
Coulombic: | -34.4569 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 298.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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