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Chemical ID: 4523821
Chemical ID:
4523821
Name [?]:
N-(4-phenylbutyl)cyclopropanecarboxamide
SMILES [?]:
c1ccc(cc1)CCCCNC(=O)C2CC2
InChi [?]:
InChI=1/C14H19NO/c16-14(13-9-10-13)15-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,9,3,5,7,15,16,10,4,14,12,11,13/E:(2,3)(6,7)(9,10)/rA:16nCCCCCCCCCCNCOCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;s14;s14s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30599 |
Area: | 447.043 |
Solvation: | -1.87009 |
Coulombic: | -22.7323 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 217.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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