ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7528541

Chemical ID:

7528541

Name [?]:

2-amino-N-[2-(4-tert-butylphenoxy)ethyl]benzamide

SMILES [?]:

CC(C)(C)c1ccc(cc1)OCCNC(=O)c2ccccc2N

InChi [?]:

InChI=1/C19H24N2O2/c1-19(2,3)14-8-10-15(11-9-14)23-13-12-21-18(22)16-6-4-5-7-17(16)20/h4-11H,12-13,20H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,3,4,19,20,18,21,6,10,7,9,13,12,5,8,17,22,15,2,23,14,16,11/E:(1,2,3)(8,9)(10,11)/rA:23nCCCCCCCCCCOCCNCOCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄N₂O₂
All Atoms:	47
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	10.4794
Area:	543.742
Solvation:	-3.11416
Coulombic:	-48.4928

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.58
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value