Chemical ID: 5168617

c1ccc(cc1)CCNC(=O)CCN2CC2
Chemical ID:
5168617
Name [?]:
3-aziridin-1-yl-N-phenethyl-propanamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)CCN2CC2
InChi [?]:
InChI=1/C13H18N2O/c16-13(7-9-15-10-11-15)14-8-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,12,8,13,15,16,4,10,9,14,11/E:(2,3)(4,5)(10,11)/rA:16nCCCCCCCCNCOCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;s14s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.729
Area:441.917
Solvation:-2.31891
Coulombic:-26.4278
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:218.295
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.05
LogP (Chemaxon):1.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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