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Chemical ID: 4214505
Chemical ID:
4214505
Name [?]:
N-(1-benzylpropyl)propanamide
SMILES [?]:
CCC(Cc1ccccc1)NC(=O)CC
InChi [?]:
InChI=1/C13H19NO/c1-3-12(14-13(15)4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,2,14,8,7,9,6,10,4,5,3,12,11,13/E:(6,7)(8,9)/rA:15cCCCCCCCCCCNCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;s11;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.17885 |
Area: | 401.149 |
Solvation: | -1.84988 |
Coulombic: | -22.2234 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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