Chemical ID: 5237743

CC(C)(C)c1ccc(cc1)NC(=O)c2ccccc2N
Chemical ID:
5237743
Name [?]:
2-amino-N-(4-tert-butylphenyl)-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)NC(=O)c2ccccc2N
InChi [?]:
InChI=1/C17H20N2O/c1-17(2,3)12-8-10-13(11-9-12)19-16(20)14-6-4-5-7-15(14)18/h4-11H,18H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,15,18,6,10,7,9,5,8,14,19,12,2,20,11,13/E:(1,2,3)(8,9)(10,11)/rA:20nCCCCCCCCCCNCOCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.81059
Area:468.933
Solvation:-1.91273
Coulombic:-40.398
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.354
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:4.42
LogP (Chemaxon):4.6

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Descriptor Annotations

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