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Chemical ID: 7438861

Chemical ID:

7438861

Name [?]:

N-[1-(4-hydroxyphenyl)ethyl]-4-methyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)NC(C)c2ccc(cc2)O

InChi [?]:

InChI=1/C16H17NO2/c1-11-3-5-14(6-4-11)16(19)17-12(2)13-7-9-15(18)10-8-13/h3-10,12,18H,1-2H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,12,3,7,4,6,14,18,15,17,2,11,13,5,16,8,10,19,9/E:(3,4)(5,6)(7,8)(9,10)/rA:19cCCCCCCCCONCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇NO₂
All Atoms:	36
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	8.96989
Area:	464.881
Solvation:	-2.65213
Coulombic:	-40.1315

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	255.312
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.69
LogP (Chemaxon):	3.32

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value