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Chemical ID: 7253885

Chemical ID:

7253885

Name [?]:

N-(1-ethylpropyl)-4-phenoxy-benzamide

SMILES [?]:

CCC(CC)NC(=O)c1ccc(cc1)Oc2ccccc2

InChi [?]:

InChI=1/C18H21NO2/c1-3-15(4-2)19-18(20)14-10-12-17(13-11-14)21-16-8-6-5-7-9-16/h5-13,15H,3-4H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,19,18,20,17,21,10,14,11,13,9,3,16,12,7,6,8,15/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:21nCCCCCNCOCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁NO₂
All Atoms:	42
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0988
Area:	497.889
Solvation:	-2.34838
Coulombic:	-32.2614

Bond Count [?]

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

Chemical Properties

Molecular Weight:	283.365
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.51
LogP (Chemaxon):	4.07

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