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Chemical ID: 4154955

Chemical ID:

4154955

Name [?]:

N-(4-isopropoxyphenyl)-3-methoxy-benzamide

SMILES [?]:

CC(C)Oc1ccc(cc1)NC(=O)c2cccc(c2)OC

InChi [?]:

InChI=1/C17H19NO3/c1-12(2)21-15-9-7-14(8-10-15)18-17(19)13-5-4-6-16(11-13)20-3/h4-12H,1-3H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,3,21,16,15,17,7,9,6,10,19,2,14,8,5,18,12,11,13,20,4/E:(1,2)(7,8)(9,10)/rA:21nCCCOCCCCCCNCOCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉NO₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.35684
Area:	499.03
Solvation:	-4.11891
Coulombic:	-36.7354

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	285.338
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.71
LogP (Chemaxon):	3.35

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