ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6323358

Chemical ID:

6323358

Name [?]:

2-phenoxy-N,N-dipropyl-acetamide

SMILES [?]:

CCCN(CCC)C(=O)COc1ccccc1

InChi [?]:

InChI=1/C14H21NO2/c1-3-10-15(11-4-2)14(16)12-17-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,7,2,6,15,14,16,13,17,3,5,10,12,8,4,9,11/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:17nCCCNCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁NO₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.80086
Area:	454.176
Solvation:	-3.55354
Coulombic:	-25.4976

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	235.322
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.81
LogP (Chemaxon):	2.59

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