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Chemical ID: 6323078

Chemical ID:

6323078

Name [?]:

N-(2-morpholinoethyl)-2-(4-nitrophenyl)-acetamide

SMILES [?]:

c1cc(ccc1CC(=O)NCCN2CCOCC2)[N+](=O)[O-]

InChi [?]:

InChI=1/C14H19N3O4/c18-14(15-5-6-16-7-9-21-10-8-16)11-12-1-3-13(4-2-12)17(19)20/h1-4H,5-11H2,(H,15,18)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,11,12,14,18,15,17,7,6,3,8,10,13,19,9,20,21,16/E:(1,2)(3,4)(7,8)(9,10)(19,20)/CRV:17.5/rA:21nCCCCCCCCONCCNCCOCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s3;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉N₃O₄
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	3.40641
Area:	511.059
Solvation:	-9.37007
Coulombic:	-44.9515

Bond Count [?]

All:	22
Single:	17
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	293.318
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	0.46
LogP (Chemaxon):	0.65

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