Chemical ID: 5623458

CCCCc1ccc(cc1)NC(=O)c2cccc(c2)C
Chemical ID:
5623458
Name [?]:
N-(4-butylphenyl)-3-methyl-benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2cccc(c2)C
InChi [?]:
InChI=1/C18H21NO/c1-3-4-7-15-9-11-17(12-10-15)19-18(20)16-8-5-6-14(2)13-16/h5-6,8-13H,3-4,7H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,16,17,4,15,6,10,7,9,19,18,5,14,8,12,11,13/E:(9,10)(11,12)/rA:20nCCCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.8017
Area:499.969
Solvation:-1.69749
Coulombic:-24.5509
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:267.365
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.47
LogP (Chemaxon):5.23

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