Chemical ID: 4523821

c1ccc(cc1)CCCCNC(=O)C2CC2
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

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Descriptor Annotations

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