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Chemical ID: 7266335
Chemical ID:
7266335
Name [?]:
2-[(4-tert-butylphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)NC(=O)COc2ccccc2C(=O)N
InChi [?]:
InChI=1/C19H22N2O3/c1-19(2,3)13-8-10-14(11-9-13)21-17(22)12-24-16-7-5-4-6-15(16)18(20)23/h4-11H,12H2,1-3H3,(H2,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,18,20,17,6,10,7,9,14,5,8,21,16,12,22,2,24,11,13,23,15/E:(1,2,3)(8,9)(10,11)/rA:24nCCCCCCCCCCNCOCOCCCCCCCON/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O3 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.62591 |
Area: | 546.6 |
Solvation: | -6.03908 |
Coulombic: | -53.5235 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.39 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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