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Chemical ID: 7255726

Chemical ID:

7255726

Name [?]:

N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide

SMILES [?]:

CCOc1ccc(cc1)Oc2ccc(cc2)NC(=O)C3CC3

InChi [?]:

InChI=1/C18H19NO3/c1-2-21-15-9-11-17(12-10-15)22-16-7-5-14(6-8-16)19-18(20)13-3-4-13/h5-13H,2-4H2,1H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,2,21,22,13,15,12,16,5,9,6,8,20,14,4,11,7,18,17,19,3,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:22nCCOCCCCCCOCCCCCCNCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉NO₃
All Atoms:	41
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.10797
Area:	515.898
Solvation:	-3.78948
Coulombic:	-35.4867

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	297.348
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.3
LogP (Chemaxon):	3.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value